Structure

InChI Key VWNWVCJGUMZDIU-UHFFFAOYSA-N
Smile CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C
InChI
InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25N3O2S2
Molecular Weight 391.56
AlogP 3.49
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 43.86
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135616
ChEMBL CHEMBL346977
DrugBank DB08967
DrugCentral 1235
EPA CompTox DTXSID6023076
FDA SRS 1FTA475ZDB
PubChem 3089
SureChEMBL SCHEMBL79333