N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide
Compound characteristics
| Compound ID: | F870-0706 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C26 H22 N4 O3 |
| Smiles: | Cc1ccc(cc1)c1nccc(Nc2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9214 |
| logD: | 4.43 |
| logSw: | -4.6292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.979 |
| InChI Key: | BSWAXVWFHVHDHJ-UHFFFAOYSA-N |