2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N-benzyl-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N-benzyl-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N-benzyl-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L861-0502 |
| Compound Name: | 2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N-benzyl-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C24 H21 N5 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(N2C=C(C=CC2=N1)C(NCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7991 |
| logD: | 1.7982 |
| logSw: | -2.395 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.8 |
| InChI Key: | VROGOEFYJPWRJW-UHFFFAOYSA-N |