Structure

InChI Key DTXPDSQEMZRBBG-UHFFFAOYSA-N
Smile CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1.Cl
InChI
InChI=1S/C24H31NO.ClH/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32ClNO
Molecular Weight 385.98
AlogP 5.22
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 20.31
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107606
FDA SRS 8VY00AJ0RL
PubChem 13330
SureChEMBL SCHEMBL392119