N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}thiophene-2-carboxamide
N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 3820-5754 |
| Compound Name: | N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}thiophene-2-carboxamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C19 H13 N3 O2 S2 |
| Smiles: | c1ccc2c(c1)nc(c1cccc(c1)NC(NC(c1cccs1)=O)=S)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.0768 |
| logD: | 5.0767 |
| logSw: | -5.135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.068 |
| InChI Key: | YFQTXHHHQCCYMC-UHFFFAOYSA-N |