rel-(4aR,8aS)-N-benzyl-6-[(1-ethyl-1H-indol-3-yl)methyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N-benzyl-6-[(1-ethyl-1H-indol-3-yl)methyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
rel-(4aR,8aS)-N-benzyl-6-[(1-ethyl-1H-indol-3-yl)methyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | SB17-0309 |
| Compound Name: | rel-(4aR,8aS)-N-benzyl-6-[(1-ethyl-1H-indol-3-yl)methyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C27 H32 N4 O2 |
| Smiles: | [H][C@@]12CCN(Cc3cn(CC)c4ccccc34)C[C@]1(CCC(N2)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.706 |
| logD: | -0.8828 |
| logSw: | -2.7853 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.477 |
| InChI Key: | HHLDUQCYRVQUBO-SQHAQQRYSA-N |