4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde
Chemical Structure Depiction of
4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde
4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde
Compound characteristics
| Compound ID: | 8014-2195 |
| Compound Name: | 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde |
| Molecular Weight: | 282.3 |
| Molecular Formula: | C16 H14 N2 O3 |
| Smiles: | [H]C(c1ccc(c(c1)[N+]([O-])=O)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1811 |
| logD: | 3.1811 |
| logSw: | -3.4455 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.292 |
| InChI Key: | HRACKMBOZDYLSF-UHFFFAOYSA-N |