N-{[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-{[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide
N-{[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | 4059-2011 |
| Compound Name: | N-{[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide |
| Molecular Weight: | 461.93 |
| Molecular Formula: | C23 H16 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])n1nc2ccc(cc2n1)NC(NC(c1cc2ccccc2o1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.8571 |
| logD: | 6.8566 |
| logSw: | -6.5771 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.567 |
| InChI Key: | AVKYJEPGHWFQJR-UHFFFAOYSA-N |