ethyl 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0226 |
| Compound Name: | ethyl 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 563.69 |
| Molecular Formula: | C29 H29 N3 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccccc3OC)C(=Nc2s1)SCC(N1CCCc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3499 |
| logD: | 5.3499 |
| logSw: | -5.3181 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.114 |
| InChI Key: | OYNCPUCXCYPFEV-UHFFFAOYSA-N |