N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Chemical Structure Depiction of
N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3149-0269 |
| Compound Name: | N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide |
| Molecular Weight: | 407.88 |
| Molecular Formula: | C20 H14 Cl N5 O S |
| Smiles: | c1ccc(cc1)C(NC(Nc1ccc2c(c1)nn(c1ccc(cc1)[Cl])n2)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1672 |
| logD: | 5.1665 |
| logSw: | -5.7635 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.274 |
| InChI Key: | HDWOAWDEWMIJIC-UHFFFAOYSA-N |