2-(3-cyanoanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(3-cyanoanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(3-cyanoanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2650 |
| Compound Name: | 2-(3-cyanoanilino)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C26 H22 N4 O3 S |
| Smiles: | Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)OCC(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7444 |
| logD: | 5.6129 |
| logSw: | -5.4235 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.217 |
| InChI Key: | CIPKFIYEZYJALY-UHFFFAOYSA-N |