ethyl 4-amino-2-{[1-(5-chloro-2-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[1-(5-chloro-2-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[1-(5-chloro-2-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0339 |
| Compound Name: | ethyl 4-amino-2-{[1-(5-chloro-2-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 424.9 |
| Molecular Formula: | C18 H21 Cl N4 O4 S |
| Smiles: | CCC(C(Nc1cc(ccc1OC)[Cl])=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7703 |
| logD: | 3.7607 |
| logSw: | -4.3001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.527 |
| InChI Key: | LHYNHHWJOPOYFQ-AWEZNQCLSA-N |