ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-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-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0220 |
| Compound Name: | ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 540.7 |
| Molecular Formula: | C28 H32 N2 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCC3CCCCC=3)C(=Nc2s1)SCc1cc(ccc1OC)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6014 |
| logD: | 5.6014 |
| logSw: | -5.4328 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.055 |
| InChI Key: | XUMOTGXMNSKCAT-UHFFFAOYSA-N |