N-[2-(3-methylphenyl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[2-(3-methylphenyl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[2-(3-methylphenyl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C066-2444 |
| Compound Name: | N-[2-(3-methylphenyl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C27 H26 N2 O2 |
| Smiles: | Cc1cccc(CCNC(C2C3c4ccccc4CCN3C(c3ccccc23)=O)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2927 |
| logD: | 4.2927 |
| logSw: | -4.2299 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.201 |
| InChI Key: | ULKHOVYYSGIGHZ-UHFFFAOYSA-N |