4-chloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
Chemical Structure Depiction of
4-chloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
4-chloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | 3616-1995 |
| Compound Name: | 4-chloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide |
| Molecular Weight: | 407.88 |
| Molecular Formula: | C21 H14 Cl N3 O2 S |
| Smiles: | c1ccc(cc1)c1nc2cc(ccc2o1)NC(NC(c1ccc(cc1)[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.4185 |
| logD: | 5.412 |
| logSw: | -6.0756 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.05 |
| InChI Key: | UKDARBDOGAZOGN-UHFFFAOYSA-N |