N-(3-chloro-4-fluorophenyl)-2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | L397-0628 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide |
| Molecular Weight: | 477.9 |
| Molecular Formula: | C20 H17 Cl F N5 O4 S |
| Smiles: | C1CC(CN2C3=NN(CC(Nc4ccc(c(c4)[Cl])F)=O)C(N3c3ccsc3C2=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8002 |
| logD: | 2.7973 |
| logSw: | -3.4702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.757 |
| InChI Key: | BGSLRVZIDREFHA-GFCCVEGCSA-N |