(azepan-1-yl)(3-methyl-4-nitrophenyl)methanone
Chemical Structure Depiction of
(azepan-1-yl)(3-methyl-4-nitrophenyl)methanone
(azepan-1-yl)(3-methyl-4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y031-9794 |
| Compound Name: | (azepan-1-yl)(3-methyl-4-nitrophenyl)methanone |
| Molecular Weight: | 262.31 |
| Molecular Formula: | C14 H18 N2 O3 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.932 |
| logD: | 2.932 |
| logSw: | -3.2982 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.298 |
| InChI Key: | MDQCEUIROVTCRL-UHFFFAOYSA-N |