Structure

InChI Key ZWZIQPOLMDPIQM-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 23.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31780
ChEMBL CHEMBL2106638
EPA CompTox DTXSID9047833
FDA SRS Z24K96F991
PubChem 33611
SureChEMBL SCHEMBL120115