3-(trifluoromethyl)phenyl {[3-(4-ethylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
3-(trifluoromethyl)phenyl {[3-(4-ethylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
3-(trifluoromethyl)phenyl {[3-(4-ethylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K286-4180 |
| Compound Name: | 3-(trifluoromethyl)phenyl {[3-(4-ethylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 613.7 |
| Molecular Formula: | C29 H22 F3 N3 O3 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(=O)Oc2cccc(c2)C(F)(F)F)c2ccc(C)cc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 7.2748 |
| logD: | 7.2748 |
| logSw: | -5.6563 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.009 |
| InChI Key: | SYSYHCHPSWUJQY-UHFFFAOYSA-N |