2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3-chlorophenyl)-4-methylpyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3-chlorophenyl)-4-methylpyrimidine-5-carboxamide
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3-chlorophenyl)-4-methylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G415-4563 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3-chlorophenyl)-4-methylpyrimidine-5-carboxamide |
| Molecular Weight: | 396.83 |
| Molecular Formula: | C20 H17 Cl N4 O3 |
| Smiles: | Cc1c(cnc(NCc2ccc3c(c2)OCO3)n1)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7629 |
| logD: | 3.6465 |
| logSw: | -4.1129 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.484 |
| InChI Key: | ANOHQAUZSWSVFZ-UHFFFAOYSA-N |