rel-(4aR,8aS)-N-benzyl-6-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N-benzyl-6-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
rel-(4aR,8aS)-N-benzyl-6-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | SB17-0343 |
| Compound Name: | rel-(4aR,8aS)-N-benzyl-6-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C21 H26 N4 O5 S |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCC(N2)=O)C(NCc1ccccc1)=O)S(c1c(C)noc1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5873 |
| logD: | 0.5872 |
| logSw: | -2.3697 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.765 |
| InChI Key: | SXHQJYVCVVKNJF-UWJYYQICSA-N |