2-(2-chloro-4-methylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(2-chloro-4-methylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(2-chloro-4-methylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2814 |
| Compound Name: | 2-(2-chloro-4-methylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C26 H24 Cl N3 O3 S |
| Smiles: | Cc1cccc(Cn2c3ccccc3nc2SCC(=O)OCC(Nc2ccc(C)cc2[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4975 |
| logD: | 6.4708 |
| logSw: | -6.1613 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.463 |
| InChI Key: | PRJSMQNFLLOZTM-UHFFFAOYSA-N |