2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-[(4-nitrophenyl)carbamoyl]benzene-1-sulfonate
Chemical Structure Depiction of
2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-[(4-nitrophenyl)carbamoyl]benzene-1-sulfonate
2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-[(4-nitrophenyl)carbamoyl]benzene-1-sulfonate
Compound characteristics
| Compound ID: | 2053-0020 |
| Compound Name: | 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-[(4-nitrophenyl)carbamoyl]benzene-1-sulfonate |
| Molecular Weight: | 529.53 |
| Molecular Formula: | C26 H19 N5 O6 S |
| Smiles: | Cc1ccc(c(c1)n1nc2ccccc2n1)OS(c1cccc(c1)C(Nc1ccc(cc1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3773 |
| logD: | 5.2234 |
| logSw: | -5.5009 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.293 |
| InChI Key: | FLTCKFIQSJPMKK-UHFFFAOYSA-N |