AC1MWA8C
8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)chromen-4-one
Also Known As: Oprea1_474396|8-(azaperhydroepinylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol -2-yl)chromen-4-one|8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzimidazol-2-yl)-4H-chromen-4-one|8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-4H-chromen-4-one|8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)chromen-4-one|8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzoimidazol-2-yl)chromen-4-one
| Molecular Formula | C27H31N3O3 |
|---|---|
| Molecular Weight | 445.23654 g/mol |
| LogP | 5.29912 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.23654 |
| Monoisotopic Mass | 445.23654 |
| Heavy Atoms | 33 |
| Complexity | 1391.7592 |
Chemical Identifiers
| CAS Number | 315237-86-6 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN3CCCCCC3)OC(=C(C2=O)C4=NC5=CC=CC=C5N4C)C |
Product Overview
AC1MWA8C (CAS 315237-86-6), with molecular formula C27H31N3O3 and molecular weight 445.23654 g/mol. IUPAC: 8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)chromen-4-one.