2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
Compound characteristics
Compound ID: | G415-4632 |
Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide |
Molecular Weight: | 394.4 |
Molecular Formula: | C21 H19 F N4 O3 |
Smiles: | Cc1c(cnc(NCc2ccc3c(c2)OCO3)n1)C(NCc1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 3.0021 |
logD: | 3.0006 |
logSw: | -3.2321 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.806 |
InChI Key: | UYMDAFHCDSNJTL-UHFFFAOYSA-N |