methyl [(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetate
methyl [(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D724-0059 |
| Compound Name: | methyl [(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetate |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | CCCc1cc(n2c3ccccc3nc2c1C#N)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1158 |
| logD: | 4.1158 |
| logSw: | -4.3631 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.161 |
| InChI Key: | CXMJXWUXOMWKHR-UHFFFAOYSA-N |