N-(3-chloro-4-fluorophenyl)-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
N-(3-chloro-4-fluorophenyl)-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F798-0592 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide |
| Molecular Weight: | 493.96 |
| Molecular Formula: | C20 H17 Cl F N5 O3 S2 |
| Smiles: | C1CC(CN2C(c3c(ccs3)n3c2nnc3SCC(Nc2ccc(c(c2)[Cl])F)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2804 |
| logD: | 3.2738 |
| logSw: | -3.6318 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.134 |
| InChI Key: | HNVTVBRWBQWTCA-GFCCVEGCSA-N |