Structure

InChI Key XLMALTXPSGQGBX-PGRDOPGGSA-N
Smile CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C
InChI
InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29NO2
Molecular Weight 339.48
AlogP 4.28
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 29.54
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 51174
ChEMBL CHEMBL1738990
DrugBank DB06793
DrugCentral 1573
EPA CompTox DTXSID8023212
FDA SRS U75VZ9PK1J
PubChem 200742
SureChEMBL SCHEMBL158770
ZINC ZINC000001530767