Structure

InChI Key PWAJCNITSBZRBL-UHFFFAOYSA-N
Smile CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3C2(c2ccccc2)O1
InChI
InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H17ClN2O3
Molecular Weight 368.82
AlogP 3.28
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 49.85
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135556
ChEMBL CHEMBL2104356
DrugBank DB01587
DrugCentral 1525
FDA SRS 92A214MD7Y
Human Metabolome Database HMDB0015526
PharmGKB PA164749385
PubChem 33746
SureChEMBL SCHEMBL157329