N-(2H-1,3-benzodioxol-5-yl)-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
N-(2H-1,3-benzodioxol-5-yl)-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
Compound characteristics
| Compound ID: | F733-0028 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C25 H20 N4 O3 |
| Smiles: | Cc1cccc(c1)c1cc(Nc2ccc(cc2)C(Nc2ccc3c(c2)OCO3)=O)ncn1 |
| Stereo: | ACHIRAL |
| logP: | 5.3462 |
| logD: | 5.141 |
| logSw: | -5.4499 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.463 |
| InChI Key: | WPYIHDATFWUKBY-UHFFFAOYSA-N |