methyl 3-amino-2-{[1-(3-methoxyanilino)-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-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 3-amino-2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C494-0013 |
| Compound Name: | methyl 3-amino-2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C20 H22 N4 O5 S2 |
| Smiles: | CCC(C(Nc1cccc(c1)OC)=O)SC1=Nc2c(C(N1N)=O)c(C)c(C(=O)OC)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1336 |
| logD: | 3.1336 |
| logSw: | -3.4079 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.531 |
| InChI Key: | DRUREMQEXRRAGU-ZDUSSCGKSA-N |