1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2-(pentafluorophenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2-(pentafluorophenoxy)ethan-1-one
1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2-(pentafluorophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | V008-6270 |
| Compound Name: | 1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2-(pentafluorophenoxy)ethan-1-one |
| Molecular Weight: | 508.4 |
| Molecular Formula: | C23 H17 F5 N4 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(COc1c(c(c(c(c1F)F)F)F)F)=O)c1nccc(c2ccc3c(c2)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.209 |
| logD: | 4.2082 |
| logSw: | -4.3998 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.066 |
| InChI Key: | FNYUYVMXPBMURH-UHFFFAOYSA-N |