N-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-4-nitrobenzamide
N-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 4529-0436 |
| Compound Name: | N-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-4-nitrobenzamide |
| Molecular Weight: | 507.5 |
| Molecular Formula: | C26 H25 N3 O8 |
| Smiles: | COc1ccc(cc1OC)C1c2cc(c(cc2CC(N1NC(c1ccc(cc1)[N+]([O-])=O)=O)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9288 |
| logD: | 2.2242 |
| logSw: | -3.5022 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.233 |
| InChI Key: | BYHOKXPCNPLDFP-VWLOTQADSA-N |