1-[2-(2H-1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)pyrimidine-5-carbonyl]piperidine-3-carboxamide
Chemical Structure Depiction of
1-[2-(2H-1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)pyrimidine-5-carbonyl]piperidine-3-carboxamide
1-[2-(2H-1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)pyrimidine-5-carbonyl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | V021-8317 |
| Compound Name: | 1-[2-(2H-1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)pyrimidine-5-carbonyl]piperidine-3-carboxamide |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C24 H22 F N5 O4 |
| Salt: | not_available |
| Smiles: | C1CC(CN(C1)C(c1cnc(c2ccc3c(c2)OCO3)nc1Nc1cccc(c1)F)=O)C(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.966 |
| logD: | 2.8735 |
| logSw: | -3.3176 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.368 |
| InChI Key: | KAJXLJFELRSBQY-HNNXBMFYSA-N |