N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}-1-benzofuran-2-carboxamide
N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | 4059-2012 |
| Compound Name: | N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}-1-benzofuran-2-carboxamide |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C19 H12 N4 O4 S2 |
| Smiles: | c1ccc2c(c1)cc(C(NC(Nc1nc(cs1)c1cccc(c1)[N+]([O-])=O)=S)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.7901 |
| logD: | 5.79 |
| logSw: | -6.8228 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.689 |
| InChI Key: | MLSGFYGELZANBD-UHFFFAOYSA-N |