4-({2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V008-7223 |
| Compound Name: | 4-({2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 585.17 |
| Molecular Formula: | C33 H33 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)c1cccc(c1)C(CN1CCN(CC1)C(c1c(c2ccccc2s1)[Cl])=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1538 |
| logD: | 6.1519 |
| logSw: | -6.5167 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.929 |
| InChI Key: | LXPYFUZVOIJXIA-LJAQVGFWSA-N |