4-({2-[4-(2-fluoro-5-methylbenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(2-fluoro-5-methylbenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
4-({2-[4-(2-fluoro-5-methylbenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-1286 |
| Compound Name: | 4-({2-[4-(2-fluoro-5-methylbenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile |
| Molecular Weight: | 523.63 |
| Molecular Formula: | C28 H30 F N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)S(N1CCN(CC1)CC(c1cccc(c1)OC)OCc1ccc(C#N)cc1)(=O)=O)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3161 |
| logD: | 4.3154 |
| logSw: | -4.325 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.97 |
| InChI Key: | FCWKTOOKSSCODI-MHZLTWQESA-N |