4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl)-2-ethoxyphenyl benzoate
Chemical Structure Depiction of
4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl)-2-ethoxyphenyl benzoate
4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl)-2-ethoxyphenyl benzoate
Compound characteristics
Compound ID: | Y509-0872 |
Compound Name: | 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl)-2-ethoxyphenyl benzoate |
Molecular Weight: | 394.43 |
Molecular Formula: | C22 H22 N2 O5 |
Smiles: | CCOc1cc(ccc1OC(c1ccccc1)=O)C1C(=C(C)NC(N1)=O)C(C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1982 |
logD: | 2.167 |
logSw: | -2.9576 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.193 |
InChI Key: | JMQYKTSQDQYZLP-HXUWFJFHSA-N |