ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0342 |
| Compound Name: | ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 516.58 |
| Molecular Formula: | C25 H22 F2 N2 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(cc3)OC)C(=Nc2s1)SCc1c(cccc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7641 |
| logD: | 5.7641 |
| logSw: | -5.5552 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.971 |
| InChI Key: | NHFDRWYWHRDSMV-UHFFFAOYSA-N |