propan-2-yl 6-methyl-2-oxo-4-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 6-methyl-2-oxo-4-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 6-methyl-2-oxo-4-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4678-1601 |
| Compound Name: | propan-2-yl 6-methyl-2-oxo-4-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C27 H28 N4 O4 |
| Smiles: | CC(C)OC(C1C(c2cn(c3ccccc3)nc2c2ccc(cc2)OCC=C)NC(NC=1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1617 |
| logD: | 4.0333 |
| logSw: | -4.0877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.175 |
| InChI Key: | QNZZOZWKTXECKV-RUZDIDTESA-N |