2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G415-4582 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | CCc1ccc(cc1)NC(c1cnc(NCc2ccc3c(c2)OCO3)nc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.94 |
| logD: | 3.9376 |
| logSw: | -3.8855 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.484 |
| InChI Key: | QYTHJIUXSNJTTA-UHFFFAOYSA-N |