rel-(6aR,13aS)-N-[1-(4-methoxyphenyl)-2-methylpropyl]-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carboxamide (incorrect configuration definition!, stereo b onds are allowed only between chiral and achiral atoms!)
Chemical Structure Depiction of
rel-(6aR,13aS)-N-[1-(4-methoxyphenyl)-2-methylpropyl]-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carboxamide (incorrect configuration definition!, stereo b onds are allowed only between chiral and achiral atoms!)
rel-(6aR,13aS)-N-[1-(4-methoxyphenyl)-2-methylpropyl]-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carboxamide (incorrect configuration definition!, stereo b onds are allowed only between chiral and achiral atoms!)
Compound characteristics
| Compound ID: | Y044-5387 |
| Compound Name: | rel-(6aR,13aS)-N-[1-(4-methoxyphenyl)-2-methylpropyl]-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carboxamide (incorrect configuration definition!, stereo b onds are allowed only between chiral and achiral atoms!) |
| Molecular Weight: | 437.63 |
| Molecular Formula: | C27 H39 N3 O2 |
| Smiles: | CC(C)C(c1ccc(cc1)OC)NC(N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.295 |
| logD: | 3.4209 |
| logSw: | -4.0906 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.972 |
| InChI Key: | XMWGZGZHKRWCFG-DJPMNMJASA-N |