2-(3-methylbutyl)-1-oxo-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(3-methylbutyl)-1-oxo-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2-dihydroisoquinoline-4-carboxamide
2-(3-methylbutyl)-1-oxo-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y044-2752 |
| Compound Name: | 2-(3-methylbutyl)-1-oxo-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 389.46 |
| Molecular Formula: | C22 H23 N5 O2 |
| Smiles: | CC(C)CCN1C=C(C(NCc2nnc3ccccn23)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.7781 |
| logD: | 1.7771 |
| logSw: | -2.4072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.45 |
| InChI Key: | CIHSNQCPAMHHOL-UHFFFAOYSA-N |