methyl N-[(1R,3aS,10aR,10bS)-1-(4-anilino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carbonyl]glycinate
Chemical Structure Depiction of
methyl N-[(1R,3aS,10aR,10bS)-1-(4-anilino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carbonyl]glycinate
methyl N-[(1R,3aS,10aR,10bS)-1-(4-anilino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carbonyl]glycinate
Compound characteristics
| Compound ID: | N106-1160 |
| Compound Name: | methyl N-[(1R,3aS,10aR,10bS)-1-(4-anilino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carbonyl]glycinate |
| Molecular Weight: | 456.59 |
| Molecular Formula: | C25 H36 N4 O4 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(Nc2ccccc2)=O)N(C1)C(NCC(=O)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4869 |
| logD: | -0.7158 |
| logSw: | -2.0176 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.064 |
| InChI Key: | ZLWWHOYEUBBWPW-UMCMBGNQSA-N |