2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K286-3471 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 538.59 |
| Molecular Formula: | C22 H17 F3 N4 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(NC(=N2)SCC(Nc2cccc(c2)C(F)(F)F)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.6981 |
| logD: | 4.6965 |
| logSw: | -4.3723 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.569 |
| InChI Key: | XBMWAGKVVLEJRN-UHFFFAOYSA-N |