1-{[4-(azepane-1-carbonyl)phenyl]methyl}-3-methylquinoxalin-2(1H)-one
Chemical Structure Depiction of
1-{[4-(azepane-1-carbonyl)phenyl]methyl}-3-methylquinoxalin-2(1H)-one
1-{[4-(azepane-1-carbonyl)phenyl]methyl}-3-methylquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | F671-0034 |
| Compound Name: | 1-{[4-(azepane-1-carbonyl)phenyl]methyl}-3-methylquinoxalin-2(1H)-one |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C23 H25 N3 O2 |
| Smiles: | [H]c1cc2c(cc1[H])N(Cc1ccc(cc1)C(N1CCCCCC1)=O)C(C(C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4169 |
| logD: | 3.4169 |
| logSw: | -3.4961 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.602 |
| InChI Key: | RWPHOHZAAPQPCN-UHFFFAOYSA-N |