2-(2-chloro-4-methylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(2-chloro-4-methylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(2-chloro-4-methylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2454 |
| Compound Name: | 2-(2-chloro-4-methylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 497.97 |
| Molecular Formula: | C25 H21 Cl F N3 O3 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(COC(CSc1nc2ccccc2n1Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.88 |
| logD: | 5.8533 |
| logSw: | -5.9703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.463 |
| InChI Key: | CHFVYUPQCJDHJL-UHFFFAOYSA-N |