N-{[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide
Chemical Structure Depiction of
N-{[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide
N-{[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3820-6345 |
| Compound Name: | N-{[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C22 H17 N3 O2 S |
| Smiles: | Cc1c(cccc1NC(NC(c1ccccc1)=O)=S)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.1736 |
| logD: | 5.1718 |
| logSw: | -5.0775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.352 |
| InChI Key: | PIRIAESXQYKALL-UHFFFAOYSA-N |