ethyl 4-amino-2-{[1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0326 |
| Compound Name: | ethyl 4-amino-2-{[1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 408.91 |
| Molecular Formula: | C18 H21 Cl N4 O3 S |
| Smiles: | CCC(C(Nc1ccc(C)c(c1)[Cl])=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.609 |
| logD: | 4.6086 |
| logSw: | -4.7436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.595 |
| InChI Key: | LYXFEWKJYQVEBR-AWEZNQCLSA-N |