4-[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
Chemical Structure Depiction of
4-[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
4-[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
Compound characteristics
Compound ID: | F727-0128 |
Compound Name: | 4-[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-6-(4-fluorophenyl)pyrimidine |
Molecular Weight: | 426.51 |
Molecular Formula: | C22 H23 F N4 O2 S |
Smiles: | Cc1ccc(c(C)c1)S(N1CCN(CC1)c1cc(c2ccc(cc2)F)ncn1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1478 |
logD: | 5.147 |
logSw: | -5.029 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.211 |
InChI Key: | SZMHPUTVPRGQGK-UHFFFAOYSA-N |