2-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F711-0706 |
| Compound Name: | 2-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 476.96 |
| Molecular Formula: | C22 H22 Cl F N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1ncc(CO)n1CC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6163 |
| logD: | 3.6159 |
| logSw: | -3.5902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.98 |
| InChI Key: | VBKKFAWOFJSONY-UHFFFAOYSA-N |