2-[(2-chloro-4-fluorophenyl)methyl]-8-(thiomorpholine-4-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-(thiomorpholine-4-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2-chloro-4-fluorophenyl)methyl]-8-(thiomorpholine-4-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | SC27-2335 |
| Compound Name: | 2-[(2-chloro-4-fluorophenyl)methyl]-8-(thiomorpholine-4-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 410.9 |
| Molecular Formula: | C18 H20 Cl F N4 O2 S |
| Smiles: | C1CC(C2=NN(Cc3ccc(cc3[Cl])F)C(N2C1)=O)C(N1CCSCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8497 |
| logD: | 2.8497 |
| logSw: | -3.4004 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.854 |
| InChI Key: | NZNDFOBAYJKWGJ-CQSZACIVSA-N |