N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C066-2465 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 525.65 |
| Molecular Formula: | C32 H35 N3 O4 |
| Smiles: | COc1cc2C(C3c4ccccc4CCN3C(c2cc1OC)=O)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7605 |
| logD: | 2.5565 |
| logSw: | -3.8256 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.106 |
| InChI Key: | CDABTYXDDFLVMK-UHFFFAOYSA-N |