2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-bromophenyl)-4-methylpyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-bromophenyl)-4-methylpyrimidine-5-carboxamide
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-bromophenyl)-4-methylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G415-4673 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-bromophenyl)-4-methylpyrimidine-5-carboxamide |
| Molecular Weight: | 441.28 |
| Molecular Formula: | C20 H17 Br N4 O3 |
| Smiles: | Cc1c(cnc(NCc2ccc3c(c2)OCO3)n1)C(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8432 |
| logD: | 3.7448 |
| logSw: | -3.9975 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.484 |
| InChI Key: | ANEOXYSPWQMJLT-UHFFFAOYSA-N |