N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C115-0399 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 539.67 |
| Molecular Formula: | C30 H41 N3 O6 |
| Smiles: | CN1C(C(C(NCCCN2CCCCCC2)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(c(c1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5039 |
| logD: | -0.1248 |
| logSw: | -3.0372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.779 |
| InChI Key: | GFCCZZCLKPBHLH-UHFFFAOYSA-N |