3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
Compound ID: | L860-0257 |
Compound Name: | 3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
Molecular Weight: | 465.46 |
Molecular Formula: | C22 H16 F N5 O4 S |
Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nnc2ccc(cn12)C(Nc1cccc(c1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3464 |
logD: | 3.3457 |
logSw: | -3.523 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.408 |
InChI Key: | XXRQRGYIGRDAIH-UHFFFAOYSA-N |