N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-chlorobenzamide
Chemical Structure Depiction of
N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-chlorobenzamide
N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-chlorobenzamide
Compound characteristics
| Compound ID: | 3616-1996 |
| Compound Name: | N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-chlorobenzamide |
| Molecular Weight: | 407.88 |
| Molecular Formula: | C21 H14 Cl N3 O2 S |
| Smiles: | c1ccc2c(c1)nc(c1ccc(cc1)NC(NC(c1ccc(cc1)[Cl])=O)=S)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.5383 |
| logD: | 5.533 |
| logSw: | -6.1477 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.05 |
| InChI Key: | DFIXOWCXYSHUPY-UHFFFAOYSA-N |