{4-[(2-methylphenyl)methanesulfonyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(2-methylphenyl)methanesulfonyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone
{4-[(2-methylphenyl)methanesulfonyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | K673-0149 |
| Compound Name: | {4-[(2-methylphenyl)methanesulfonyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C19 H20 N2 O5 S |
| Smiles: | Cc1ccccc1CS(c1ccc(cc1[N+]([O-])=O)C(N1CCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5561 |
| logD: | 3.5561 |
| logSw: | -3.9193 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.098 |
| InChI Key: | HRSBLSSDWABRFE-UHFFFAOYSA-N |