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 |