4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V006-0594 |
| Compound Name: | 4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 536.63 |
| Molecular Formula: | C31 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | C1CCN(C1)c1cccc(c1)C(CN1CCN(CC1)C(c1ccc2c(c1)non2)=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1484 |
| logD: | 4.1463 |
| logSw: | -4.3121 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 83.502 |
| InChI Key: | OCGNLPRZACTUCZ-PMERELPUSA-N |