methyl 3-amino-2-{[1-(4-ethylanilino)-1-oxobutan-2-yl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-amino-2-{[1-(4-ethylanilino)-1-oxobutan-2-yl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 3-amino-2-{[1-(4-ethylanilino)-1-oxobutan-2-yl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C494-0009 |
| Compound Name: | methyl 3-amino-2-{[1-(4-ethylanilino)-1-oxobutan-2-yl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C21 H24 N4 O4 S2 |
| Smiles: | CCC(C(Nc1ccc(CC)cc1)=O)SC1=Nc2c(C(N1N)=O)c(C)c(C(=O)OC)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9978 |
| logD: | 3.9978 |
| logSw: | -4.3629 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.987 |
| InChI Key: | SVQPATJXCWOTOK-AWEZNQCLSA-N |