ethyl 3-amino-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-amino-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-amino-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C494-0166 |
| Compound Name: | ethyl 3-amino-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C20 H22 N4 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(C(=Nc2s1)SCC(Nc1ccc(C)c(C)c1)=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4634 |
| logD: | 3.4634 |
| logSw: | -3.9387 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.353 |
| InChI Key: | QFNJPQLFVZAEHU-UHFFFAOYSA-N |