ethyl 3-[2-(4-chlorophenyl)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-(4-chlorophenyl)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-(4-chlorophenyl)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: | K285-0335 |
| Compound Name: | ethyl 3-[2-(4-chlorophenyl)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: | 582.14 |
| Molecular Formula: | C29 H28 Cl N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCc3ccc(cc3)[Cl])C(=Nc2s1)SCC(N1CCCc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0917 |
| logD: | 6.0917 |
| logSw: | -6.0763 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.462 |
| InChI Key: | FNRDISQNAAYDMZ-UHFFFAOYSA-N |