rel-(4aR,8aS)-N-benzyl-6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N-benzyl-6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
rel-(4aR,8aS)-N-benzyl-6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | SB17-0335 |
| Compound Name: | rel-(4aR,8aS)-N-benzyl-6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C23 H28 N4 O5 |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCC(N2)=O)C(NCc1ccccc1)=O)C(c1c(COC)c(C)on1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6866 |
| logD: | 0.6866 |
| logSw: | -1.8403 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.32 |
| InChI Key: | QTJOWRDAIYRCFD-JPYJTQIMSA-N |