1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one
Chemical Structure Depiction of
1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one
1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one
Compound characteristics
| Compound ID: | V030-6055 |
| Compound Name: | 1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one |
| Molecular Weight: | 480.34 |
| Molecular Formula: | C19 H15 F7 N4 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(C(C(C(F)(F)F)(F)F)(F)F)=O)c1nccc(c2ccc3c(c2)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5941 |
| logD: | 4.5933 |
| logSw: | -4.5622 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.193 |
| InChI Key: | OGMRTYLXJVZBIR-UHFFFAOYSA-N |