4-chloro-N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
4-chloro-N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3616-2286 |
| Compound Name: | 4-chloro-N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide |
| Molecular Weight: | 421.91 |
| Molecular Formula: | C21 H16 Cl N5 O S |
| Smiles: | Cc1ccc(cc1)n1nc2ccc(cc2n1)NC(NC(c1ccc(cc1)[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.6957 |
| logD: | 5.6892 |
| logSw: | -6.0637 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.274 |
| InChI Key: | JWZUHJIZSHJCPP-UHFFFAOYSA-N |