N-benzyl-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)acetamide
Chemical Structure Depiction of
N-benzyl-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)acetamide
N-benzyl-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)acetamide
Compound characteristics
| Compound ID: | K286-4268 |
| Compound Name: | N-benzyl-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)acetamide |
| Molecular Weight: | 542.67 |
| Molecular Formula: | C25 H23 F N4 O3 S3 |
| Smiles: | C1CC(CN2C3=C(C(N(C(=N3)SCC(NCc3ccccc3)=O)c3ccc(cc3)F)=O)SC2=S)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5364 |
| logD: | 3.5364 |
| logSw: | -3.712 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.692 |
| InChI Key: | JGCITHWWWGEWEB-LJQANCHMSA-N |