11-{[2-(azepan-1-yl)ethyl]amino}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Chemical Structure Depiction of
11-{[2-(azepan-1-yl)ethyl]amino}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
11-{[2-(azepan-1-yl)ethyl]amino}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Compound characteristics
| Compound ID: | D724-0066 |
| Compound Name: | 11-{[2-(azepan-1-yl)ethyl]amino}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile |
| Molecular Weight: | 387.53 |
| Molecular Formula: | C24 H29 N5 |
| Smiles: | C1CCCN(CC1)CCNC1=C2CCCCC2=C(C#N)c2nc3ccccc3n12 |
| Stereo: | ACHIRAL |
| logP: | 4.5129 |
| logD: | 1.5288 |
| logSw: | -4.1852 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.067 |
| InChI Key: | ZSYDWTKQPZSCHX-UHFFFAOYSA-N |