(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)(piperidin-1-yl)methanone
Chemical Structure Depiction of
(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)(piperidin-1-yl)methanone
(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)(piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | K672-0174 |
| Compound Name: | (4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)(piperidin-1-yl)methanone |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | Cc1ccc(CSc2ccc(cc2[N+]([O-])=O)C(N2CCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1849 |
| logD: | 4.1849 |
| logSw: | -4.2704 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.696 |
| InChI Key: | XHHJNBDHNJIDOG-UHFFFAOYSA-N |