6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5(2H)-one
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V027-3155 |
| Compound Name: | 6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 428.41 |
| Molecular Formula: | C22 H19 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | C(CC(N1CCc2ccccc2C1)=O)C1C(N=C(c2cccc(c2)C(F)(F)F)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1931 |
| logD: | 3.1931 |
| logSw: | -3.3563 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.362 |
| InChI Key: | KXNVVLCCYWTYFO-UHFFFAOYSA-N |