N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-methylbenzamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | 3821-1942 |
| Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-methylbenzamide |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | Cc1cccc(c1)C(NC(Nc1cc(ccc1OC)c1nc2ccccc2o1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3535 |
| logD: | 5.3531 |
| logSw: | -5.4627 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.983 |
| InChI Key: | ZNFXTDZQVYCOJZ-UHFFFAOYSA-N |