3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 4576-0146 |
| Compound Name: | 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 452.56 |
| Molecular Formula: | C28 H28 N4 O2 |
| Smiles: | COc1ccc(cc1)C(N1CCN(CC1)c1c(C#N)c2CCCCc2c(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1265 |
| logD: | 5.1263 |
| logSw: | -5.1348 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.715 |
| InChI Key: | WKPHJNVLZPRUEE-UHFFFAOYSA-N |