2-[(2-chloro-6-fluorophenyl)methyl]-8-(6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(2-chloro-6-fluorophenyl)methyl]-8-(6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2-chloro-6-fluorophenyl)methyl]-8-(6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | SC27-2209 |
| Compound Name: | 2-[(2-chloro-6-fluorophenyl)methyl]-8-(6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 446.93 |
| Molecular Formula: | C21 H20 Cl F N4 O2 S |
| Smiles: | C1CC(C2=NN(Cc3c(cccc3[Cl])F)C(N2C1)=O)C(N1CCc2c(C1)ccs2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7361 |
| logD: | 3.7361 |
| logSw: | -4.19 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.534 |
| InChI Key: | VRUJDUJDCACSOW-CQSZACIVSA-N |