3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-fluoro[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one
Chemical Structure Depiction of
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-fluoro[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-fluoro[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one
Compound characteristics
| Compound ID: | P516-0420 |
| Compound Name: | 3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-fluoro[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one |
| Molecular Weight: | 363.35 |
| Molecular Formula: | C19 H14 F N5 O2 |
| Smiles: | C1CN(Cc2ccccc12)C(c1c2C(Nc3cc(ccc3n2nn1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2972 |
| logD: | 1.9994 |
| logSw: | -2.9861 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.568 |
| InChI Key: | JXUCJWCPBSLKHI-UHFFFAOYSA-N |