1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y501-6938 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one |
| Molecular Weight: | 287.28 |
| Molecular Formula: | C13 H13 N5 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(Cn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0894 |
| logD: | 1.0894 |
| logSw: | -2.0409 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.689 |
| InChI Key: | WZLPFDQQFLAJME-UHFFFAOYSA-N |