11-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Chemical Structure Depiction of
11-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
11-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 4852-0306 |
| Compound Name: | 11-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C22 H25 N5 O |
| Smiles: | C1CCC2C(C1)=C(C#N)c1nc3ccccc3n1C=2N1CCN(CC1)CCO |
| Stereo: | ACHIRAL |
| logP: | 3.0098 |
| logD: | 2.4777 |
| logSw: | -2.8372 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.561 |
| InChI Key: | BDNWDDQMLGFDFL-UHFFFAOYSA-N |