N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-4437 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H26 F N5 O2 |
| Smiles: | CC1=NN(CC(NCCCN2CCc3ccccc3C2)=O)C(c2cc3cc(ccc3n12)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7844 |
| logD: | 1.5804 |
| logSw: | -3.1792 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.333 |
| InChI Key: | NGKIRZNLGASNBV-UHFFFAOYSA-N |