2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2014 |
| Compound Name: | 2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C26 H24 Cl N3 O3 S |
| Smiles: | Cc1cc(C)cc(c1)NC(COC(CSc1nc2ccccc2n1Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4148 |
| logD: | 6.3883 |
| logSw: | -6.1605 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.161 |
| InChI Key: | XVKVRVLCCDUUDI-UHFFFAOYSA-N |