3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one
Chemical Structure Depiction of
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one
Compound characteristics
| Compound ID: | P516-0633 |
| Compound Name: | 3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one |
| Molecular Weight: | 359.39 |
| Molecular Formula: | C20 H17 N5 O2 |
| Smiles: | Cc1ccc2c(c1)NC(c1c(C(N3CCc4ccccc4C3)=O)nnn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.416 |
| logD: | 2.4123 |
| logSw: | -2.9125 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.568 |
| InChI Key: | RUJGVWULYXBIRV-UHFFFAOYSA-N |