4-({2-[4-(2,4-difluorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(2,4-difluorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
4-({2-[4-(2,4-difluorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V003-2723 |
| Compound Name: | 4-({2-[4-(2,4-difluorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile |
| Molecular Weight: | 527.59 |
| Molecular Formula: | C27 H27 F2 N3 O4 S |
| Smiles: | COc1cccc(c1)C(CN1CCN(CC1)S(c1ccc(cc1F)F)(=O)=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9125 |
| logD: | 3.9118 |
| logSw: | -4.1398 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.97 |
| InChI Key: | YZBDNNOACYAUMO-SANMLTNESA-N |