3-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
Compound ID: | L860-0295 |
Compound Name: | 3-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
Molecular Weight: | 435.48 |
Molecular Formula: | C22 H18 F N5 O2 S |
Smiles: | C(c1ccccc1)NC(CSc1nnc2ccc(cn12)C(Nc1cccc(c1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.1946 |
logD: | 3.1939 |
logSw: | -3.367 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.615 |
InChI Key: | SZUJHGYFUVHIGA-UHFFFAOYSA-N |