3-methyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
3-methyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
3-methyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | D724-0019 |
| Compound Name: | 3-methyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 293.39 |
| Molecular Formula: | C17 H15 N3 S |
| Smiles: | CC(=C)CSc1cc(C)c(C#N)c2nc3ccccc3n12 |
| Stereo: | ACHIRAL |
| logP: | 4.8192 |
| logD: | 4.8192 |
| logSw: | -4.765 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.5821 |
| InChI Key: | DJKFKHCKHGOROV-UHFFFAOYSA-N |