N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2-chlorobenzamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2-chlorobenzamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2-chlorobenzamide
Compound characteristics
| Compound ID: | 4028-0625 |
| Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2-chlorobenzamide |
| Molecular Weight: | 437.9 |
| Molecular Formula: | C22 H16 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1NC(NC(c1ccccc1[Cl])=O)=S)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.4376 |
| logD: | 5.4365 |
| logSw: | -5.7999 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.983 |
| InChI Key: | ASSRRKOODLAXJZ-UHFFFAOYSA-N |