ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0285 |
| Compound Name: | ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 575.54 |
| Molecular Formula: | C26 H27 Br N2 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCC3CCCCC=3)C(=Nc2s1)SCC(c1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.28 |
| logD: | 6.28 |
| logSw: | -5.5065 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.845 |
| InChI Key: | DEGMSBXMLGZSIO-UHFFFAOYSA-N |