ethyl {[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-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 {[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
ethyl {[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | A0018960 |
| Compound Name: | ethyl {[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 562.53 |
| Molecular Formula: | C23 H20 Br N3 O3 S3 |
| Smiles: | CCOC(CSC1=NC2=C(C(N1c1ccc(cc1)[Br])=O)SC(N2c1c(C)cccc1C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.739 |
| logD: | 5.739 |
| logSw: | -5.3771 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 46.783 |
| InChI Key: | QRLREUJQFBJRTI-UHFFFAOYSA-N |