[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetic acid
[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | D724-0058 |
| Compound Name: | [(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetic acid |
| Molecular Weight: | 325.39 |
| Molecular Formula: | C17 H15 N3 O2 S |
| Smiles: | CCCc1cc(n2c3ccccc3nc2c1C#N)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5852 |
| logD: | -0.0313 |
| logSw: | -3.871 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.966 |
| InChI Key: | YKEMSRCSPHMHKQ-UHFFFAOYSA-N |