2-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-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-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
2-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-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: | K286-4274 |
| Compound Name: | 2-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 596.64 |
| Molecular Formula: | C25 H20 F4 N4 O3 S3 |
| Smiles: | C1CC(CN2C3=C(C(N(C(=N3)SCC(Nc3ccccc3C(F)(F)F)=O)c3ccc(cc3)F)=O)SC2=S)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3707 |
| logD: | 4.3707 |
| logSw: | -4.4435 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.672 |
| InChI Key: | WPDGCPHNEPCMAI-MRXNPFEDSA-N |