ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | C653-0099 |
Compound Name: | ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methylbenzene-1-sulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 460.5 |
Molecular Formula: | C22 H24 N2 O7 S |
Smiles: | CCOC(C1C(c2ccc(c(c2)OC)O)NC(NC=1CS(c1ccc(C)cc1)(=O)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.0943 |
logD: | 1.6685 |
logSw: | -2.7591 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 109.995 |
InChI Key: | GUPQQAAVVSWWHX-HXUWFJFHSA-N |