(1R,3aS,10aR,10bS)-1-(4-anilino-4-oxobutyl)-N-(propan-2-yl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide
Chemical Structure Depiction of
(1R,3aS,10aR,10bS)-1-(4-anilino-4-oxobutyl)-N-(propan-2-yl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide
(1R,3aS,10aR,10bS)-1-(4-anilino-4-oxobutyl)-N-(propan-2-yl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide
Compound characteristics
| Compound ID: | N106-1048 |
| Compound Name: | (1R,3aS,10aR,10bS)-1-(4-anilino-4-oxobutyl)-N-(propan-2-yl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide |
| Molecular Weight: | 426.6 |
| Molecular Formula: | C25 H38 N4 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(Nc2ccccc2)=O)N(C1)C(NC(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6799 |
| logD: | 0.4771 |
| logSw: | -3.2301 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.459 |
| InChI Key: | CSNVCRMNGFIWJT-VDEHWKIFSA-N |