ethyl 6-(4-methoxyphenyl)-4-methyl-2-(methylsulfanyl)-1,6-dihydropyrimidine-5-carboxylate--hydrogen iodide (1/1)
Chemical Structure Depiction of
ethyl 6-(4-methoxyphenyl)-4-methyl-2-(methylsulfanyl)-1,6-dihydropyrimidine-5-carboxylate--hydrogen iodide (1/1)
ethyl 6-(4-methoxyphenyl)-4-methyl-2-(methylsulfanyl)-1,6-dihydropyrimidine-5-carboxylate--hydrogen iodide (1/1)
Compound characteristics
Compound ID: | 3454-0206 |
Compound Name: | ethyl 6-(4-methoxyphenyl)-4-methyl-2-(methylsulfanyl)-1,6-dihydropyrimidine-5-carboxylate--hydrogen iodide (1/1) |
Molecular Weight: | 448.32 |
Molecular Formula: | C16 H20 N2 O3 S |
Salt: | HI |
Smiles: | CCOC(C1C(c2ccc(cc2)OC)NC(=NC=1C)SC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6704 |
logD: | 2.3681 |
logSw: | -2.8651 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.64 |
InChI Key: | BVGGNNAYEMADKF-AWEZNQCLSA-N |