2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-N-[(4-methylphenyl)methyl]-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)amino]-2-oxoethyl}-N-[(4-methylphenyl)methyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-N-[(4-methylphenyl)methyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L861-0594 |
| Compound Name: | 2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-N-[(4-methylphenyl)methyl]-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: | Cc1ccc(CNC(C2C=CC3=NN(CC(Nc4ccc5c(c4)OCO5)=O)C(N3C=2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5647 |
| logD: | 2.5639 |
| logSw: | -2.9159 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.478 |
| InChI Key: | IGHFJBHYHXURML-UHFFFAOYSA-N |