3-methyl-N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
3-methyl-N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}-1-benzofuran-2-carboxamide
3-methyl-N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | 4059-2266 |
| Compound Name: | 3-methyl-N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}-1-benzofuran-2-carboxamide |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C20 H14 N4 O4 S2 |
| Smiles: | Cc1c2ccccc2oc1C(NC(Nc1nc(cs1)c1cccc(c1)[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0366 |
| logD: | 6.0365 |
| logSw: | -5.7794 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.922 |
| InChI Key: | HLCUQKJGTRSVLJ-UHFFFAOYSA-N |