4-chloro-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide
Chemical Structure Depiction of
4-chloro-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide
4-chloro-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | 3616-1997 |
| Compound Name: | 4-chloro-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide |
| Molecular Weight: | 407.88 |
| Molecular Formula: | C20 H14 Cl N5 O S |
| Smiles: | c1ccc(cc1)n1nc2ccc(cc2n1)NC(NC(c1ccc(cc1)[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.1508 |
| logD: | 5.1443 |
| logSw: | -5.8349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.274 |
| InChI Key: | KATYJGXZESCALL-UHFFFAOYSA-N |