3-(3,4-difluorophenyl)-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-(3,4-difluorophenyl)-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
3-(3,4-difluorophenyl)-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V031-2956 |
| Compound Name: | 3-(3,4-difluorophenyl)-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C21 H18 F2 N4 O2 |
| Salt: | not_available |
| Smiles: | C(CC(N1CCc2ccccc2C1)=O)C1C(N=C(c2ccc(c(c2)F)F)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.766 |
| logD: | -0.2648 |
| logSw: | -3.2091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.362 |
| InChI Key: | GMZJBWNDMIZXBZ-UHFFFAOYSA-N |