ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0237 |
| Compound Name: | ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 566.65 |
| Molecular Formula: | C28 H26 N2 O7 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2s1)SCc1cc(ccc1OC)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1174 |
| logD: | 5.1174 |
| logSw: | -5.1666 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85 |
| InChI Key: | JSCZQHXMDKSKES-UHFFFAOYSA-N |