2-(3-chloro-4-fluoroanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(3-chloro-4-fluoroanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(3-chloro-4-fluoroanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2639 |
| Compound Name: | 2-(3-chloro-4-fluoroanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 497.97 |
| Molecular Formula: | C25 H21 Cl F N3 O3 S |
| Smiles: | Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)OCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6136 |
| logD: | 6.4731 |
| logSw: | -6.1527 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.161 |
| InChI Key: | SASSNRNNOSVYHN-UHFFFAOYSA-N |