ethyl ({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate
ethyl ({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K286-4270 |
| Compound Name: | ethyl ({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C20 H20 F N3 O4 S3 |
| Smiles: | CCOC(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2CC1CCCO1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0663 |
| logD: | 3.0663 |
| logSw: | -3.1522 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 56.651 |
| InChI Key: | OAEFIVQWUSFZKU-CQSZACIVSA-N |