rel-(4aR,8aS)-N-benzyl-6-(2,5-difluorobenzoyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N-benzyl-6-(2,5-difluorobenzoyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
rel-(4aR,8aS)-N-benzyl-6-(2,5-difluorobenzoyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | SB17-0362 |
| Compound Name: | rel-(4aR,8aS)-N-benzyl-6-(2,5-difluorobenzoyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide |
| Molecular Weight: | 427.45 |
| Molecular Formula: | C23 H23 F2 N3 O3 |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCC(N2)=O)C(NCc1ccccc1)=O)C(c1cc(ccc1F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0934 |
| logD: | 2.0933 |
| logSw: | -3.1296 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.664 |
| InChI Key: | FRIADRIYUUCMOK-CVDCTZTESA-N |