N-[3-(azepan-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[3-(azepan-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C168-0261 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C23 H33 N3 O4 |
| Smiles: | CCN1C=C(C(NCCCN2CCCCCC2)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.1437 |
| logD: | -0.427 |
| logSw: | -2.6566 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.026 |
| InChI Key: | BVDMLWWQJSHOJV-UHFFFAOYSA-N |