{4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperidin-1-yl)methanone
{4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperidin-1-yl)methanone
Compound characteristics
| Compound ID: | K673-0170 |
| Compound Name: | {4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperidin-1-yl)methanone |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Smiles: | CC1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)S(Cc1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5415 |
| logD: | 3.5415 |
| logSw: | -3.9128 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.732 |
| InChI Key: | IYZYNHWYHAOXGF-UHFFFAOYSA-N |