{4-[(2-methylphenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(2-methylphenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperidin-1-yl)methanone
{4-[(2-methylphenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperidin-1-yl)methanone
Compound characteristics
| Compound ID: | K673-0148 |
| Compound Name: | {4-[(2-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(Cc1ccccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1737 |
| logD: | 4.1737 |
| logSw: | -4.2924 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.732 |
| InChI Key: | LSJLMONWUOGKMO-UHFFFAOYSA-N |