N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-propoxybenzamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-propoxybenzamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-propoxybenzamide
Compound characteristics
| Compound ID: | 3822-1320 |
| Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-propoxybenzamide |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Smiles: | CCCOc1cccc(c1)C(NC(Nc1cc(ccc1OC)c1nc2ccccc2o1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0225 |
| logD: | 6.0225 |
| logSw: | -5.5212 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.4 |
| InChI Key: | XKQFYFUBDZEVLP-UHFFFAOYSA-N |