ethyl 2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0443 |
| Compound Name: | ethyl 2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 530.66 |
| Molecular Formula: | C25 H30 N4 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CC3CCCO3)C(=Nc2s1)SCC(Nc1ccc(cc1)N(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4966 |
| logD: | 3.4881 |
| logSw: | -3.9457 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.035 |
| InChI Key: | JTUXLGVSXFJPBG-GOSISDBHSA-N |