4-chloro-N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
4-chloro-N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3616-2781 |
| Compound Name: | 4-chloro-N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide |
| Molecular Weight: | 442.32 |
| Molecular Formula: | C21 H13 Cl2 N3 O2 S |
| Smiles: | c1cc(cc(c1)NC(NC(c1ccc(cc1)[Cl])=O)=S)c1nc2cc(ccc2o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1944 |
| logD: | 6.1899 |
| logSw: | -6.5006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.05 |
| InChI Key: | IXYIJLHCGJQBFF-UHFFFAOYSA-N |