rel-(4aR,8aS)-N-benzyl-6-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N-benzyl-6-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
rel-(4aR,8aS)-N-benzyl-6-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | SB17-0341 |
| Compound Name: | rel-(4aR,8aS)-N-benzyl-6-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | [H][C@@]12CCN(Cc3cnn(CC)c3C)C[C@]1(CCC(N2)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1121 |
| logD: | -3.7899 |
| logSw: | -1.919 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.674 |
| InChI Key: | CMOYPHWTUYJWHY-OFNKIYASSA-N |