methyl 3-amino-5-methyl-2-[(1-{[(4-methylphenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-amino-5-methyl-2-[(1-{[(4-methylphenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 3-amino-5-methyl-2-[(1-{[(4-methylphenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C494-0014 |
| Compound Name: | methyl 3-amino-5-methyl-2-[(1-{[(4-methylphenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-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(NCc1ccc(C)cc1)=O)SC1=Nc2c(C(N1N)=O)c(C)c(C(=O)OC)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0078 |
| logD: | 3.0078 |
| logSw: | -3.295 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.309 |
| InChI Key: | VIOGIUASZIGTMP-AWEZNQCLSA-N |