N-(4-chloro-2-fluorophenyl)-2-(9-methyl-2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-(9-methyl-2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide
N-(4-chloro-2-fluorophenyl)-2-(9-methyl-2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide
Compound characteristics
| Compound ID: | L908-0357 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-(9-methyl-2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C20 H17 Cl F N5 O2 S |
| Smiles: | CC1CCc2c3C4=NC(N(CC(Nc5ccc(cc5F)[Cl])=O)N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2139 |
| logD: | 0.5947 |
| logSw: | -4.8281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.243 |
| InChI Key: | GGSASYHWNVZAGO-SNVBAGLBSA-N |