2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K286-4291 |
| Compound Name: | 2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 574.62 |
| Molecular Formula: | C25 H17 F3 N4 O3 S3 |
| Smiles: | C(c1ccco1)N1C2=C(C(N(C(=N2)SCC(Nc2ccccc2C(F)(F)F)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.0308 |
| logD: | 5.0308 |
| logSw: | -4.7341 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.766 |
| InChI Key: | PAUBUUUJTCHURJ-UHFFFAOYSA-N |