ethyl {[3-(2,4-dimethylphenyl)-6-(4-ethoxyphenyl)-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-(2,4-dimethylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
ethyl {[3-(2,4-dimethylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K286-2764 |
| Compound Name: | ethyl {[3-(2,4-dimethylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 527.68 |
| Molecular Formula: | C25 H25 N3 O4 S3 |
| Smiles: | CCOC(CSC1=NC2=C(C(N1c1ccc(cc1)OCC)=O)SC(N2c1ccc(C)cc1C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6311 |
| logD: | 5.6311 |
| logSw: | -5.373 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 54.208 |
| InChI Key: | NMFJFKXMHBEIAW-UHFFFAOYSA-N |