rel-(4aR,8aS)-N-benzyl-6-(1-methyl-1H-pyrrole-2-carbonyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N-benzyl-6-(1-methyl-1H-pyrrole-2-carbonyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
rel-(4aR,8aS)-N-benzyl-6-(1-methyl-1H-pyrrole-2-carbonyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | SB17-0305 |
| Compound Name: | rel-(4aR,8aS)-N-benzyl-6-(1-methyl-1H-pyrrole-2-carbonyl)-2-oxooctahydro-1,6-naphthyridine-4a(2H)-carboxamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCC(N2)=O)C(NCc1ccccc1)=O)C(c1cccn1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6767 |
| logD: | 1.6767 |
| logSw: | -2.095 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.081 |
| InChI Key: | RKGVKWSYAPWDEK-GCJKJVERSA-N |