4-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
4-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C115-0320 |
| Compound Name: | 4-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C27 H34 N2 O6 |
| Smiles: | CN1C(C(C(N2CCCCCC2)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(c(c1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8483 |
| logD: | 2.8483 |
| logSw: | -3.1761 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.189 |
| InChI Key: | NQIUAUFMLDQVIG-UHFFFAOYSA-N |