N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}benzamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}benzamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 4028-0137 |
| Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}benzamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | COc1ccc(cc1NC(NC(c1ccccc1)=O)=S)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 4.8774 |
| logD: | 4.8773 |
| logSw: | -4.7299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.983 |
| InChI Key: | JLTXRUHRQLMWCW-UHFFFAOYSA-N |