N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | 3820-6698 |
| Compound Name: | N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C21 H14 F N3 O2 S |
| Smiles: | c1ccc2c(c1)nc(c1ccc(cc1)NC(NC(c1ccc(cc1)F)=O)=S)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.9727 |
| logD: | 4.9673 |
| logSw: | -5.0483 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.05 |
| InChI Key: | BVBUMNGLZLPDOS-UHFFFAOYSA-N |