2-[(2-chloro-4-fluorophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(2-chloro-4-fluorophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2-chloro-4-fluorophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | SC27-2279 |
| Compound Name: | 2-[(2-chloro-4-fluorophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 440.9 |
| Molecular Formula: | C23 H22 Cl F N4 O2 |
| Smiles: | C1CC(C2=NN(Cc3ccc(cc3[Cl])F)C(N2C1)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3062 |
| logD: | 4.3062 |
| logSw: | -4.5093 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.516 |
| InChI Key: | JQVVBNZZQGOURF-LJQANCHMSA-N |