ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0143 |
| Compound Name: | ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 580.68 |
| Molecular Formula: | C28 H28 N4 O6 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2s1)SCC(Nc1ccc(cc1)N(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.925 |
| logD: | 4.9165 |
| logSw: | -4.7072 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.497 |
| InChI Key: | KGXDKALFRCWONY-UHFFFAOYSA-N |