ethyl 6-[(2-chlorophenoxy)methyl]-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(2-chlorophenoxy)methyl]-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(2-chlorophenoxy)methyl]-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | V010-2705 |
Compound Name: | ethyl 6-[(2-chlorophenoxy)methyl]-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 418.85 |
Molecular Formula: | C21 H20 Cl F N2 O4 |
Smiles: | CCOC(C1C(c2ccccc2F)NC(N(C)C=1COc1ccccc1[Cl])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9653 |
logD: | 3.9599 |
logSw: | -4.3375 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.104 |
InChI Key: | XBZFQTIXDDWGDV-LJQANCHMSA-N |