N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
Compound characteristics
| Compound ID: | F733-0085 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C26 H22 N4 O3 |
| Smiles: | Cc1cccc(c1)c1cc(Nc2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)ncn1 |
| Stereo: | ACHIRAL |
| logP: | 5.0921 |
| logD: | 4.889 |
| logSw: | -4.9525 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.785 |
| InChI Key: | VFAMABLLHFCURD-UHFFFAOYSA-N |