11-{[(oxolan-2-yl)methyl]amino}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Chemical Structure Depiction of
11-{[(oxolan-2-yl)methyl]amino}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
11-{[(oxolan-2-yl)methyl]amino}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Compound characteristics
| Compound ID: | D724-0072 |
| Compound Name: | 11-{[(oxolan-2-yl)methyl]amino}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C21 H22 N4 O |
| Smiles: | C1CCC2C(C1)=C(C#N)c1nc3ccccc3n1C=2NCC1CCCO1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4273 |
| logD: | 3.4273 |
| logSw: | -3.5061 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.566 |
| InChI Key: | PQAOGYOHTUDXQB-CQSZACIVSA-N |