N-[2-(4-chlorophenyl)ethyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[2-(4-chlorophenyl)ethyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0166 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 519.04 |
| Molecular Formula: | C30 H31 Cl N2 O4 |
| Smiles: | CCOc1cc2CCN3C(C(C(NCCc4ccc(cc4)[Cl])=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7379 |
| logD: | 3.7379 |
| logSw: | -4.3067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.621 |
| InChI Key: | MSKYZZPEPJMDRC-UHFFFAOYSA-N |