methyl N-[rel-(6aR,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carbonyl]phenylalaninate (incorrect configuration definition!, stereo bonds are allowed only between chiral and achiral atoms!)
Chemical Structure Depiction of
methyl N-[rel-(6aR,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carbonyl]phenylalaninate (incorrect configuration definition!, stereo bonds are allowed only between chiral and achiral atoms!)
methyl N-[rel-(6aR,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carbonyl]phenylalaninate (incorrect configuration definition!, stereo bonds are allowed only between chiral and achiral atoms!)
Compound characteristics
| Compound ID: | Y044-5559 |
| Compound Name: | methyl N-[rel-(6aR,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carbonyl]phenylalaninate (incorrect configuration definition!, stereo bonds are allowed only between chiral and achiral atoms!) |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C26 H35 N3 O3 |
| Smiles: | COC([C@H](Cc1ccccc1)NC(N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0186 |
| logD: | 2.1445 |
| logSw: | -3.3963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.88 |
| InChI Key: | YEWKVMBYNZAGPX-ZROJVYTPSA-N |