ethyl 3-(5-cyano-2,4-dimethyl-6-{[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]sulfanyl}pyridin-3-yl)propanoate
Chemical Structure Depiction of
ethyl 3-(5-cyano-2,4-dimethyl-6-{[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]sulfanyl}pyridin-3-yl)propanoate
ethyl 3-(5-cyano-2,4-dimethyl-6-{[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]sulfanyl}pyridin-3-yl)propanoate
Compound characteristics
| Compound ID: | 6114-0170 |
| Compound Name: | ethyl 3-(5-cyano-2,4-dimethyl-6-{[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]sulfanyl}pyridin-3-yl)propanoate |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | CCOC(CCc1c(C)c(C#N)c(nc1C)SCCCN1C(Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6364 |
| logD: | 4.6364 |
| logSw: | -4.3423 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.579 |
| InChI Key: | XKXCNUASGNCQLT-UHFFFAOYSA-N |