3-(2H-1,3-benzodioxol-5-yl)-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
3-(2H-1,3-benzodioxol-5-yl)-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V029-2989 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | C(CC(N1CCc2ccccc2C1)=O)C1C(N=C(c2ccc3c(c2)OCO3)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.312 |
| logD: | 2.312 |
| logSw: | -2.9907 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.478 |
| InChI Key: | UHQGIMCZFVKWNN-UHFFFAOYSA-N |