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 |