[2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)pyrimidin-5-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)pyrimidin-5-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone
[2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)pyrimidin-5-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V001-4826 |
| Compound Name: | [2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)pyrimidin-5-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone |
| Molecular Weight: | 525.58 |
| Molecular Formula: | C30 H28 F N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN2CCN(CC2)C(c2cnc(c3ccc4c(c3)OCO4)nc2Nc2ccccc2F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2094 |
| logD: | 5.117 |
| logSw: | -4.8338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.218 |
| InChI Key: | AVFOVCKHIWGLHC-UHFFFAOYSA-N |