Structure

InChI Key VVHQVXXPZDALDV-BOXHHOBZSA-N
Smiles Cl.O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1
InChI
InChI=1S/C25H27N3O5.ClH/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27;/h1-7,21H,8-16H2,(H,26,29,30);1H/t21-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H28ClN3O5
Molecular Weight 485.97
AlogP 1.86
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 88.18
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 33.0

Cross References

Resources Reference
ChEMBL CHEMBL3989912
FDA SRS 79L3645KFI
PubChem 72793904
SureChEMBL SCHEMBL15465936