Structure

InChI Key YBCPYHQFUMNOJG-UHFFFAOYSA-N
Smile COc1cc2c(cc1OC)C(CCc1ccc(Cl)cc1)N(C)CC2
InChI
InChI=1S/C20H24ClNO2/c1-22-11-10-15-12-19(23-2)20(24-3)13-17(15)18(22)9-6-14-4-7-16(21)8-5-14/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24ClNO2
Molecular Weight 345.87
AlogP 4.52
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 21.7
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135462
ChEMBL CHEMBL2106915
DrugCentral 1749
FDA SRS 72L4ZT2W1P
PubChem 16538
SureChEMBL SCHEMBL26169