2-chloro-N-{[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Chemical Structure Depiction of
2-chloro-N-{[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
2-chloro-N-{[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3370-4273 |
| Compound Name: | 2-chloro-N-{[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide |
| Molecular Weight: | 456.35 |
| Molecular Formula: | C21 H15 Cl2 N5 O S |
| Smiles: | Cc1ccc(cc1[Cl])n1nc2ccc(cc2n1)NC(NC(c1ccccc1[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.3568 |
| logD: | 6.3504 |
| logSw: | -6.0582 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.274 |
| InChI Key: | IOSIMHVNYBBPCP-UHFFFAOYSA-N |