4-{[1-(3-methoxyphenyl)-2-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzonitrile
Chemical Structure Depiction of
4-{[1-(3-methoxyphenyl)-2-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzonitrile
4-{[1-(3-methoxyphenyl)-2-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzonitrile
Compound characteristics
| Compound ID: | V001-6872 |
| Compound Name: | 4-{[1-(3-methoxyphenyl)-2-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzonitrile |
| Molecular Weight: | 559.61 |
| Molecular Formula: | C28 H28 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CN1CCN(CC1)S(c1ccccc1C(F)(F)F)(=O)=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6585 |
| logD: | 4.6578 |
| logSw: | -4.4889 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.97 |
| InChI Key: | SKYRHXILNHGKJU-SANMLTNESA-N |