EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	007QF56M4D

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

007QF56M4D


InChI Key	ZAPDURRCHSKKKK-UHFFFAOYSA-N
Smiles	CCCCCCCCNCC(O)COc1ccc(SC(C)C)cc1
InChI	InChI=1S/C20H35NO2S/c1-4-5-6-7-8-9-14-21-15-18(22)16-23-19-10-12-20(13-11-19)24-17(2)3/h10-13,17-18,21-22H,4-9,14-16H2,1-3H3

InChI Key

ZAPDURRCHSKKKK-UHFFFAOYSA-N

Smiles

CCCCCCCCNCC(O)COc1ccc(SC(C)C)cc1

InChI

InChI=1S/C20H35NO2S/c1-4-5-6-7-8-9-14-21-15-18(22)16-23-19-10-12-20(13-11-19)24-17(2)3/h10-13,17-18,21-22H,4-9,14-16H2,1-3H3

Property Name	Value
Molecular Formula	C20H35N1O2S1
Molecular Weight	353.24
AlogP	4.88
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	14.0
Polar Surface Area	41.49
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C20H35N1O2S1

Molecular Weight

353.24

AlogP

4.88

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

14.0

Polar Surface Area

41.49

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	70895-45-3
NORMAN SUSDAT
FDA SRS	007QF56M4D

Resources

Reference

CAS NUMBER

70895-45-3

NORMAN SUSDAT

FDA SRS

007QF56M4D

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

TIPROPIDIL

Structure

Physicochemical Descriptors

Cross References