2-(4-chloroanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(4-chloroanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(4-chloroanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2547 |
| Compound Name: | 2-(4-chloroanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C25 H22 Cl N3 O3 S |
| Smiles: | Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)OCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4782 |
| logD: | 6.3467 |
| logSw: | -6.2202 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.161 |
| InChI Key: | HSZZZXHKECEGBJ-UHFFFAOYSA-N |