ethyl 4-amino-2-{[1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0369 |
| Compound Name: | ethyl 4-amino-2-{[1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C19 H24 N4 O5 S |
| Smiles: | CCC(C(Nc1cc(cc(c1)OC)OC)=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3579 |
| logD: | 3.3575 |
| logSw: | -3.6763 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.682 |
| InChI Key: | SKJKNMZZTBXXFN-HNNXBMFYSA-N |