N-{[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-{[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide
N-{[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | 4059-2337 |
| Compound Name: | N-{[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C25 H18 Cl N3 O3 S |
| Smiles: | Cc1c(cccc1NC(NC(c1c(C)c2ccccc2o1)=O)=S)c1nc2cc(ccc2o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.916 |
| logD: | 6.9126 |
| logSw: | -6.3046 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.878 |
| InChI Key: | ZACCTRKOFRNMMJ-UHFFFAOYSA-N |