N-(cyclopropylmethyl)-4-{(1R,3aS,10aR,10bS)-2-[(4-fluorophenoxy)acetyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-4-{(1R,3aS,10aR,10bS)-2-[(4-fluorophenoxy)acetyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
N-(cyclopropylmethyl)-4-{(1R,3aS,10aR,10bS)-2-[(4-fluorophenoxy)acetyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
Compound characteristics
| Compound ID: | N106-0677 |
| Compound Name: | N-(cyclopropylmethyl)-4-{(1R,3aS,10aR,10bS)-2-[(4-fluorophenoxy)acetyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C27 H38 F N3 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCC2CC2)=O)N(C1)C(COc1ccc(cc1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2156 |
| logD: | -0.362 |
| logSw: | -2.6527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.888 |
| InChI Key: | IPNYJJZWVRTJAN-ZCIWVVNKSA-N |