4-chloro-N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
4-chloro-N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3616-2786 |
| Compound Name: | 4-chloro-N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide |
| Molecular Weight: | 442.32 |
| Molecular Formula: | C20 H13 Cl2 N5 O S |
| Smiles: | c1cc(ccc1C(NC(Nc1ccc2c(c1)nn(c1ccc(cc1)[Cl])n2)=S)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.867 |
| logD: | 5.8606 |
| logSw: | -6.2552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.274 |
| InChI Key: | IYOVUJHBIDRBKG-UHFFFAOYSA-N |