ethyl 4-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
ethyl 4-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G857-0872 |
| Compound Name: | ethyl 4-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate |
| Molecular Weight: | 416.28 |
| Molecular Formula: | C16 H15 Cl2 N3 O4 S |
| Smiles: | CCOC(C1=C(C)NC(N=C1SCC(Nc1ccc(c(c1)[Cl])[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2213 |
| logD: | -0.0472 |
| logSw: | -3.4699 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.975 |
| InChI Key: | RZYUNYKTNRVDAD-UHFFFAOYSA-N |