2-[(2-chloro-4-fluorophenyl)methyl]-8-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2-chloro-4-fluorophenyl)methyl]-8-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | SC27-2246 |
| Compound Name: | 2-[(2-chloro-4-fluorophenyl)methyl]-8-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 407.87 |
| Molecular Formula: | C19 H23 Cl F N5 O2 |
| Smiles: | CN1CCN(CC1)C(C1CCCN2C1=NN(Cc1ccc(cc1[Cl])F)C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2429 |
| logD: | 1.9216 |
| logSw: | -3.0328 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.33 |
| InChI Key: | MBKDTZOWLMWQMT-OAHLLOKOSA-N |