ethyl 4-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | D724-0018 |
| Compound Name: | ethyl 4-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | CCOC(CC(CSc1cc(C)c(C#N)c2nc3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3395 |
| logD: | 3.3394 |
| logSw: | -3.5402 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.496 |
| InChI Key: | BYKNCYQEFQYJDG-UHFFFAOYSA-N |