N-[3-(azepan-1-yl)propyl]-2,3-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2,3-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[3-(azepan-1-yl)propyl]-2,3-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C265-0345 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2,3-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C29 H37 N3 O4 |
| Smiles: | COc1cc2CCN3C(C(C(NCCCN4CCCCCC4)=O)c4ccccc4C3=O)c2cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7167 |
| logD: | 0.0881 |
| logSw: | -3.3716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.775 |
| InChI Key: | DEZABVZIBIRLPL-UHFFFAOYSA-N |