N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0103 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 535.04 |
| Molecular Formula: | C30 H31 Cl N2 O5 |
| Smiles: | CCOc1cc2CCN3C(C(C(Nc4cc(C)c(cc4OC)[Cl])=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7916 |
| logD: | 4.6944 |
| logSw: | -4.8586 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.39 |
| InChI Key: | OHFYUZSWSRFIFE-UHFFFAOYSA-N |