2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2734 |
| Compound Name: | 2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | Cc1cccc(Cn2c3ccccc3nc2SCC(=O)OCC(Nc2cc(C)cc(C)c2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4667 |
| logD: | 6.4402 |
| logSw: | -5.5927 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.161 |
| InChI Key: | XGYOOTURAUECKL-UHFFFAOYSA-N |