2-methoxyethyl 4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methoxyethyl 4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | 4476-0123 |
Compound Name: | 2-methoxyethyl 4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 340.83 |
Molecular Formula: | C15 H17 Cl N2 O3 S |
Smiles: | [H]N1C(C(=C(C)N([H])C1=S)C(=O)OCCOC)c1ccc(cc1)[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 1.9767 |
logD: | 1.9606 |
logSw: | -3.0035 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 52.064 |
InChI Key: | VVQOGUPSGYGTQT-ZDUSSCGKSA-N |