Structure

InChI Key ZWZIQPOLMDPIQM-UHFFFAOYSA-N
Smiles CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1.Cl
InChI
InChI=1S/C26H27ClN2O.ClH/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29;/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H28Cl2N2O
Molecular Weight 455.43
AlogP 5.78
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 23.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Cross References

Resources Reference
ChEBI 31780
ChEMBL CHEMBL2106638
FDA SRS Z24K96F991
PubChem 33611
SureChEMBL SCHEMBL120115