3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L860-0258 |
| Compound Name: | 3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 479.49 |
| Molecular Formula: | C23 H18 F N5 O4 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSc1nnc2ccc(cn12)C(Nc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4859 |
| logD: | 2.4851 |
| logSw: | -2.8828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.116 |
| InChI Key: | PSYRQHAWPNUKJY-UHFFFAOYSA-N |