Structure

InChI Key ODLGFPIWRAEFAN-PFEQFJNWSA-N
Smile COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2.Cl
InChI
InChI=1S/C19H24N2OS.ClH/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;/h5-11,14H,12-13H2,1-4H3;1H/t14-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25ClN2OS
Molecular Weight 364.94
AlogP 4.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 15.71
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31773
ChEMBL CHEMBL2104973
FDA SRS 42BB1Y2586
PubChem 11954230
SureChEMBL SCHEMBL418079