ethyl {[3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
ethyl {[3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K286-1061 |
| Compound Name: | ethyl {[3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 501.62 |
| Molecular Formula: | C23 H20 F N3 O3 S3 |
| Smiles: | CCOC(CSC1=NC2=C(C(N1c1ccccc1F)=O)SC(N2c1ccc(C)c(C)c1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3018 |
| logD: | 5.3018 |
| logSw: | -5.2526 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.084 |
| InChI Key: | IUEPMNDAGPDCMN-UHFFFAOYSA-N |