[2-(2H-1,3-benzodioxol-5-yl)-4-(4-fluoroanilino)pyrimidin-5-yl](4-cyclopentylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[2-(2H-1,3-benzodioxol-5-yl)-4-(4-fluoroanilino)pyrimidin-5-yl](4-cyclopentylpiperazin-1-yl)methanone
[2-(2H-1,3-benzodioxol-5-yl)-4-(4-fluoroanilino)pyrimidin-5-yl](4-cyclopentylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V020-3841 |
| Compound Name: | [2-(2H-1,3-benzodioxol-5-yl)-4-(4-fluoroanilino)pyrimidin-5-yl](4-cyclopentylpiperazin-1-yl)methanone |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C27 H28 F N5 O3 |
| Smiles: | C1CCC(C1)N1CCN(CC1)C(c1cnc(c2ccc3c(c2)OCO3)nc1Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5123 |
| logD: | 4.2535 |
| logSw: | -4.2346 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.835 |
| InChI Key: | STUBYVNNGNXLGC-UHFFFAOYSA-N |