4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl 3,4-dichlorobenzene-1-sulfonate
4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 0121-0093 |
| Compound Name: | 4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 536.17 |
| Molecular Formula: | C19 H10 Cl4 N2 O6 S |
| Smiles: | c1cc(c(cc1[N+]([O-])=O)[Cl])NC(c1cc(ccc1OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2256 |
| logD: | 3.3259 |
| logSw: | -6.4205 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.862 |
| InChI Key: | VVXNRVWJSOMAKL-UHFFFAOYSA-N |