1-{3-fluoro-4-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]phenyl}butan-1-one
Chemical Structure Depiction of
1-{3-fluoro-4-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]phenyl}butan-1-one
1-{3-fluoro-4-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]phenyl}butan-1-one
Compound characteristics
Compound ID: | 8011-9030 |
Compound Name: | 1-{3-fluoro-4-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]phenyl}butan-1-one |
Molecular Weight: | 404.5 |
Molecular Formula: | C21 H25 F N2 O3 S |
Smiles: | CCCC(c1ccc(c(c1)F)N1CCN(CC1)S(c1ccc(C)cc1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.6307 |
logD: | 4.6307 |
logSw: | -4.4426 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 48.156 |
InChI Key: | FKHYKZVXCQQVNC-UHFFFAOYSA-N |