N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-1-benzofuran-2-carboxamide
N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | 4059-2100 |
| Compound Name: | N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-1-benzofuran-2-carboxamide |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C23 H15 N3 O3 S |
| Smiles: | c1ccc2c(c1)cc(C(NC(Nc1cccc(c1)c1nc3ccccc3o1)=S)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.1195 |
| logD: | 6.1193 |
| logSw: | -6.8617 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.343 |
| InChI Key: | VWHPUDXVFLECDM-UHFFFAOYSA-N |