8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one
8-(azepan-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxychromen-4-one
Also Known As: CBMicro_037862|Oprea1_111803|Oprea1_347374|BIM-0038072.P001|8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one|AE-641/13212076|8-(azepan-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxychromen-4-one|SR-01000427658-1|8-(azepan-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one|8-(azaperhydroepinylmethyl)-3-(4-chlorophenyl)-7-hydroxychromen-4-one|8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-4-oxochromen-7-olate|8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-4-oxo-4H-chromen-7-olate [M+H]+
| Molecular Formula | C22H22ClNO3 |
|---|---|
| Molecular Weight | 383.1288 g/mol |
| LogP | 5.195 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.1288 |
| Monoisotopic Mass | 383.1288 |
| Heavy Atoms | 27 |
| Complexity | 1002.4819 |
Chemical Identifiers
| CAS Number | 302575-43-5 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O |
Product Overview
8-(1-azepanylmethyl)-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one (CAS 302575-43-5), with molecular formula C22H22ClNO3 and molecular weight 383.1288 g/mol. IUPAC: 8-(azepan-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxychromen-4-one.