{4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}(piperidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}(piperidin-1-yl)methanone
{4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}(piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | K673-0174 |
| Compound Name: | {4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}(piperidin-1-yl)methanone |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | Cc1ccc(CS(c2ccc(cc2[N+]([O-])=O)C(N2CCCCC2)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2111 |
| logD: | 3.2111 |
| logSw: | -3.6219 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.732 |
| InChI Key: | YWBZKKOETSJBFR-UHFFFAOYSA-N |