ethyl 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]butanoate
Chemical Structure Depiction of
ethyl 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]butanoate
ethyl 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | D724-0017 |
| Compound Name: | ethyl 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]butanoate |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Smiles: | CCC(C(=O)OCC)Sc1cc(C)c(C#N)c2nc3ccccc3n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9162 |
| logD: | 4.9162 |
| logSw: | -4.7472 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.336 |
| InChI Key: | WRWJQFMYJCREPJ-INIZCTEOSA-N |