(3,4-dihydroisoquinolin-2(1H)-yl)(3-methyl-2-nitrophenyl)methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)(3-methyl-2-nitrophenyl)methanone
(3,4-dihydroisoquinolin-2(1H)-yl)(3-methyl-2-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y032-3229 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)(3-methyl-2-nitrophenyl)methanone |
| Molecular Weight: | 296.32 |
| Molecular Formula: | C17 H16 N2 O3 |
| Smiles: | Cc1cccc(C(N2CCc3ccccc3C2)=O)c1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4484 |
| logD: | 3.4484 |
| logSw: | -3.6269 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.328 |
| InChI Key: | VLXJGBPUASSWDX-UHFFFAOYSA-N |