ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0185 |
| Compound Name: | ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 551.73 |
| Molecular Formula: | C29 H33 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCC3CCCCC=3)C(=Nc2s1)SCC(N1CCCc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.753 |
| logD: | 5.753 |
| logSw: | -5.4933 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.654 |
| InChI Key: | JVQJPUQWRFXISX-UHFFFAOYSA-N |