[2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)pyrimidin-5-yl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)pyrimidin-5-yl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)pyrimidin-5-yl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V012-2726 |
| Compound Name: | [2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)pyrimidin-5-yl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 515.52 |
| Molecular Formula: | C28 H23 F2 N5 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1cnc(c2ccc3c(c2)OCO3)nc1Nc1ccccc1F)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.2835 |
| logD: | 5.1911 |
| logSw: | -5.4169 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.637 |
| InChI Key: | XSDYHECMNUFMTK-UHFFFAOYSA-N |