EcoDrugPlus


Synonyms	T2000
Status
Molecule Category	Free-form
UNII	QW2J7VST60
EPA CompTox	DTXSID70243285

Synonyms

T2000

Status

Molecule Category

Free-form

UNII

QW2J7VST60

EPA CompTox

DTXSID70243285


InChI Key	RRFBTKHQZRCRSS-UHFFFAOYSA-N
Smiles	COCN1C(=O)N(COC)C(=O)C(c2ccccc2)(c2ccccc2)C1=O
InChI	InChI=1S/C20H20N2O5/c1-26-13-21-17(23)20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(24)22(14-27-2)19(21)25/h3-12H,13-14H2,1-2H3

InChI Key

RRFBTKHQZRCRSS-UHFFFAOYSA-N

Smiles

COCN1C(=O)N(COC)C(=O)C(c2ccccc2)(c2ccccc2)C1=O

InChI

InChI=1S/C20H20N2O5/c1-26-13-21-17(23)20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(24)22(14-27-2)19(21)25/h3-12H,13-14H2,1-2H3

Property Name	Value
Molecular Formula	C20H20N2O5
Molecular Weight	368.39
AlogP	1.97
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	6.0
Polar Surface Area	76.15
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C20H20N2O5

Molecular Weight

368.39

AlogP

1.97

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

6.0

Polar Surface Area

76.15

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

27.0

Resources	Reference
ChEMBL	CHEMBL4297439
DrugBank	DB11654
FDA SRS	QW2J7VST60
PubChem	9907289
SureChEMBL	SCHEMBL711204

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

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

T-2000

Structure

Physicochemical Descriptors

Cross References