(azepan-1-yl)(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)methanone
Chemical Structure Depiction of
(azepan-1-yl)(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)methanone
(azepan-1-yl)(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | K672-0156 |
| Compound Name: | (azepan-1-yl)(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)methanone |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | Cc1ccc(CSc2ccc(cc2[N+]([O-])=O)C(N2CCCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6808 |
| logD: | 4.6808 |
| logSw: | -4.4177 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.027 |
| InChI Key: | CELMXLJHWZLKKD-UHFFFAOYSA-N |