ethyl 2-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5082 |
| Compound Name: | ethyl 2-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C24 H26 N2 O6 S2 |
| Smiles: | CCOC(CC(CSC1=Nc2c(C(N1Cc1ccc(C)cc1)=O)c(C)c(C(=O)OCC)s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1855 |
| logD: | 4.1855 |
| logSw: | -4.2866 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 79.613 |
| InChI Key: | YTRANMDJGRWWER-UHFFFAOYSA-N |