[2-(2H-1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)pyrimidin-5-yl]([1,4'-bipiperidin]-1'-yl)methanone
Chemical Structure Depiction of
[2-(2H-1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)pyrimidin-5-yl]([1,4'-bipiperidin]-1'-yl)methanone
[2-(2H-1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)pyrimidin-5-yl]([1,4'-bipiperidin]-1'-yl)methanone
Compound characteristics
| Compound ID: | V001-6412 |
| Compound Name: | [2-(2H-1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)pyrimidin-5-yl]([1,4'-bipiperidin]-1'-yl)methanone |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C28 H30 F N5 O3 |
| Salt: | not_available |
| Smiles: | C1CCN(CC1)C1CCN(CC1)C(c1cnc(c2ccc3c(c2)OCO3)nc1Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8746 |
| logD: | 1.4352 |
| logSw: | -4.5904 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.469 |
| InChI Key: | XTYKUQHMHFMPFN-UHFFFAOYSA-N |