(azepan-1-yl){4-[(2-chlorophenyl)sulfanyl]-3-nitrophenyl}methanone
Chemical Structure Depiction of
(azepan-1-yl){4-[(2-chlorophenyl)sulfanyl]-3-nitrophenyl}methanone
(azepan-1-yl){4-[(2-chlorophenyl)sulfanyl]-3-nitrophenyl}methanone
Compound characteristics
| Compound ID: | K781-2584 |
| Compound Name: | (azepan-1-yl){4-[(2-chlorophenyl)sulfanyl]-3-nitrophenyl}methanone |
| Molecular Weight: | 390.89 |
| Molecular Formula: | C19 H19 Cl N2 O3 S |
| Smiles: | C1CCCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)Sc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1728 |
| logD: | 5.1728 |
| logSw: | -5.733 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.027 |
| InChI Key: | GUNCACGQFFOZCD-UHFFFAOYSA-N |