rel-(6aR,13aS)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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!, st ereo bonds are allowed only between chiral and achiral atoms!)
Chemical Structure Depiction of
rel-(6aR,13aS)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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!, st ereo bonds are allowed only between chiral and achiral atoms!)
rel-(6aR,13aS)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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!, st ereo bonds are allowed only between chiral and achiral atoms!)
Compound characteristics
| Compound ID: | Y044-5386 |
| Compound Name: | rel-(6aR,13aS)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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!, st ereo bonds are allowed only between chiral and achiral atoms!) |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C25 H33 N3 O3 |
| Smiles: | C1CCN2C[C@H]3C[C@@H](C=C4CCCN(C(NCC5COc6ccccc6O5)=O)[C@H]34)[C@@H]2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9102 |
| logD: | 2.0361 |
| logSw: | -3.3588 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.755 |
| InChI Key: | BFELMUXVWRRXHS-DRIUQXDWSA-N |