2-[(2-chloro-4-fluorophenyl)methyl]-8-(3-oxopiperazine-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-(3-oxopiperazine-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-(3-oxopiperazine-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | SC27-2250 |
| Compound Name: | 2-[(2-chloro-4-fluorophenyl)methyl]-8-(3-oxopiperazine-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 407.83 |
| Molecular Formula: | C18 H19 Cl F N5 O3 |
| Smiles: | C1CC(C2=NN(Cc3ccc(cc3[Cl])F)C(N2C1)=O)C(N1CCNC(C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2672 |
| logD: | 1.2672 |
| logSw: | -2.6629 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.811 |
| InChI Key: | MXWPPSHPWOLVDD-CYBMUJFWSA-N |