ethyl 4-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
ethyl 4-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | G857-0871 |
Compound Name: | ethyl 4-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate |
Molecular Weight: | 381.84 |
Molecular Formula: | C16 H16 Cl N3 O4 S |
Smiles: | CCOC(C1=C(C)NC(N=C1SCC(Nc1ccc(cc1)[Cl])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.3418 |
logD: | -0.9268 |
logSw: | -3.2393 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.975 |
InChI Key: | DWZQVJKPJVGDJX-UHFFFAOYSA-N |