3-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
3-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyrido[1,2-a]benzimidazole-4-carbonitrile
3-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | D724-0030 |
| Compound Name: | 3-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C22 H17 N3 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1cc(C)c(C#N)c2nc3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0918 |
| logD: | 5.0918 |
| logSw: | -5.0016 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.557 |
| InChI Key: | XAKMBLCZRHRTGI-UHFFFAOYSA-N |