(azepan-1-yl){4-[(2-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone
Chemical Structure Depiction of
(azepan-1-yl){4-[(2-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone
(azepan-1-yl){4-[(2-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone
Compound characteristics
| Compound ID: | K673-0134 |
| Compound Name: | (azepan-1-yl){4-[(2-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Smiles: | Cc1ccccc1CS(c1ccc(cc1[N+]([O-])=O)C(N1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3393 |
| logD: | 4.3393 |
| logSw: | -4.3042 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.063 |
| InChI Key: | SXZNCQDCPKESKX-UHFFFAOYSA-N |