4-({2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V004-0369 |
| Compound Name: | 4-({2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 514.69 |
| Molecular Formula: | C30 H34 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccsc1C(N1CCN(CC1)CC(c1cccc(c1)N1CCCC1)OCc1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7023 |
| logD: | 4.7004 |
| logSw: | -4.4695 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.201 |
| InChI Key: | NQVUDWPIECZZOU-NDEPHWFRSA-N |