2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G415-4637 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide |
| Molecular Weight: | 420.42 |
| Molecular Formula: | C22 H20 N4 O5 |
| Smiles: | Cc1c(cnc(NCc2ccc3c(c2)OCO3)n1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9819 |
| logD: | 1.9478 |
| logSw: | -2.8273 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.307 |
| InChI Key: | GNKLOZBYOCSOOX-UHFFFAOYSA-N |