ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(4-ethoxyanilino)-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-(4-ethoxyanilino)-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-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | K285-0158 |
Compound Name: | ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
Molecular Weight: | 555.72 |
Molecular Formula: | C28 H33 N3 O5 S2 |
Smiles: | CCOC(c1c(C)c2C(N(CCC3CCCCC=3)C(=Nc2s1)SCC(Nc1ccc(cc1)OCC)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.6879 |
logD: | 5.6879 |
logSw: | -5.4053 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.87 |
InChI Key: | GZMYSLUDLCPZCK-UHFFFAOYSA-N |