1-[4-(adamantan-1-yl)piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | C063-0020 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 453.63 |
| Molecular Formula: | C29 H35 N5 |
| Smiles: | CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CC1)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 7.1689 |
| logD: | 6.2331 |
| logSw: | -6.0663 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 30.3181 |
| InChI Key: | CZVKMVRYYOGQGG-UHFFFAOYSA-N |