EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	ZL07Z2X4JC
EPA CompTox	DTXSID60239470

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

ZL07Z2X4JC

EPA CompTox

DTXSID60239470


InChI Key	XVMPZTINNDQPHX-UHFFFAOYSA-N
Smiles	O=C1N(CC2=CC(CN3CC4=CC=CC=C4C3=O)=CC=C2)CC2=CC=CC=C12
InChI	InChI=1S/C24H20N2O2/c27-23-21-10-3-1-8-19(21)15-25(23)13-17-6-5-7-18(12-17)14-26-16-20-9-2-4-11-22(20)24(26)28/h1-12H,13-16H2

InChI Key

XVMPZTINNDQPHX-UHFFFAOYSA-N

Smiles

O=C1N(CC2=CC(CN3CC4=CC=CC=C4C3=O)=CC=C2)CC2=CC=CC=C12

InChI

InChI=1S/C24H20N2O2/c27-23-21-10-3-1-8-19(21)15-25(23)13-17-6-5-7-18(12-17)14-26-16-20-9-2-4-11-22(20)24(26)28/h1-12H,13-16H2

Property Name	Value
Molecular Formula	C24H20N2O2
Molecular Weight	368.15
AlogP	4.0
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	40.62
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C24H20N2O2

Molecular Weight

368.15

AlogP

4.0

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

40.62

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	935739-41-6
NORMAN SUSDAT
FDA SRS	ZL07Z2X4JC
PubChem	53413294

Resources

Reference

CAS NUMBER

935739-41-6

NORMAN SUSDAT

FDA SRS

ZL07Z2X4JC

PubChem

53413294

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2,2'-(1,3-PHENYLENEBIS(METHYLENE))BIS(2,3-DIHYDRO)-1H-ISOINDOL-1-ONE

Structure

Physicochemical Descriptors

Cross References