N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide
N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | 3820-6347 |
| Compound Name: | N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methylbenzamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C22 H17 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C(NC(Nc1cccc(c1)c1nc2ccccc2o1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5876 |
| logD: | 5.5869 |
| logSw: | -5.5236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.05 |
| InChI Key: | BVNAYILIMRRMMO-UHFFFAOYSA-N |