N-{[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-{[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide
N-{[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | 4059-2352 |
| Compound Name: | N-{[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C26 H20 Cl N3 O3 S |
| Smiles: | CCc1ccc2c(c1)nc(c1cc(ccc1[Cl])NC(NC(c1c(C)c3ccccc3o1)=O)=S)o2 |
| Stereo: | ACHIRAL |
| logP: | 7.5162 |
| logD: | 7.5152 |
| logSw: | -6.4966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.576 |
| InChI Key: | SHGQXXJPGSNBRZ-UHFFFAOYSA-N |