2-(3-chloro-2-methylanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(3-chloro-2-methylanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(3-chloro-2-methylanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2613 |
| Compound Name: | 2-(3-chloro-2-methylanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C26 H24 Cl N3 O3 S |
| Smiles: | Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)OCC(Nc1cccc(c1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6908 |
| logD: | 6.5592 |
| logSw: | -6.2319 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.463 |
| InChI Key: | CWFLXPNETYBDMW-UHFFFAOYSA-N |