2-chloro-N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Chemical Structure Depiction of
2-chloro-N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
2-chloro-N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3370-3557 |
| Compound Name: | 2-chloro-N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide |
| Molecular Weight: | 425.87 |
| Molecular Formula: | C20 H13 Cl F N5 O S |
| Smiles: | c1ccc(c(c1)C(NC(Nc1ccc2c(c1)nn(c1ccc(cc1)F)n2)=S)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1618 |
| logD: | 5.1553 |
| logSw: | -5.4511 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.274 |
| InChI Key: | IVAUXXZQRZCTOV-UHFFFAOYSA-N |