4-[(1R,3aS,10aR,10bS)-2-(3-methylbenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-(3-methylbenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one
4-[(1R,3aS,10aR,10bS)-2-(3-methylbenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one
Compound characteristics
| Compound ID: | N106-0333 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-(3-methylbenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one |
| Molecular Weight: | 453.63 |
| Molecular Formula: | C27 H39 N3 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCOCC2)=O)N(C1)C(c1cccc(C)c1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9891 |
| logD: | -0.4727 |
| logSw: | -2.25 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.222 |
| InChI Key: | UCSDSBLPOORVGI-PMHJDTQVSA-N |