2-({6-[(furan-2-yl)methyl]-7-oxo-3-(2-phenylethyl)-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-({6-[(furan-2-yl)methyl]-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-({6-[(furan-2-yl)methyl]-7-oxo-3-(2-phenylethyl)-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: | K286-0258 |
| Compound Name: | 2-({6-[(furan-2-yl)methyl]-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 602.68 |
| Molecular Formula: | C27 H21 F3 N4 O3 S3 |
| Smiles: | C(CN1C2=C(C(N(Cc3ccco3)C(=N2)SCC(Nc2cccc(c2)C(F)(F)F)=O)=O)SC1=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2547 |
| logD: | 6.2545 |
| logSw: | -6.1302 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.054 |
| InChI Key: | NLFUBZVIJVKSJY-UHFFFAOYSA-N |