2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-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-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-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: | L861-0687 |
| Compound Name: | 2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 455.52 |
| Molecular Formula: | C26 H25 N5 O3 |
| Smiles: | Cc1ccc(CNC(C2C=CC3=NN(CC(N4CCc5ccccc5C4)=O)C(N3C=2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6389 |
| logD: | 2.638 |
| logSw: | -2.7501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.267 |
| InChI Key: | FPSFPOPIHPKOKN-UHFFFAOYSA-N |