N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-7-methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-7-methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-7-methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
Compound characteristics
| Compound ID: | P516-0623 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-7-methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C22 H22 N6 O2 |
| Smiles: | Cc1ccc2c(c1)NC(c1c(C(NCCN3CCc4ccccc4C3)=O)nnn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1157 |
| logD: | 1.8786 |
| logSw: | -2.9205 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.157 |
| InChI Key: | GLLFVOBWSWMIMC-UHFFFAOYSA-N |