2-methylphenyl 3-[(2-nitrophenyl)carbamoyl]benzene-1-sulfonate
Chemical Structure Depiction of
2-methylphenyl 3-[(2-nitrophenyl)carbamoyl]benzene-1-sulfonate
2-methylphenyl 3-[(2-nitrophenyl)carbamoyl]benzene-1-sulfonate
Compound characteristics
| Compound ID: | 0668-0054 |
| Compound Name: | 2-methylphenyl 3-[(2-nitrophenyl)carbamoyl]benzene-1-sulfonate |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C20 H16 N2 O6 S |
| Smiles: | Cc1ccccc1OS(c1cccc(c1)C(Nc1ccccc1[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0305 |
| logD: | 3.373 |
| logSw: | -4.1671 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.561 |
| InChI Key: | FQNQUDSTBJISDH-UHFFFAOYSA-N |