methyl 2-{[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]amino}benzoate (incorrect configuration definition!, stereo bonds are allowed only between chiral and achiral atoms!)
Chemical Structure Depiction of
methyl 2-{[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]amino}benzoate (incorrect configuration definition!, stereo bonds are allowed only between chiral and achiral atoms!)
methyl 2-{[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]amino}benzoate (incorrect configuration definition!, stereo bonds are allowed only between chiral and achiral atoms!)
Compound characteristics
| Compound ID: | Y044-5550 |
| Compound Name: | methyl 2-{[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]amino}benzoate (incorrect configuration definition!, stereo bonds are allowed only between chiral and achiral atoms!) |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C24 H31 N3 O3 |
| Smiles: | COC(c1ccccc1NC(N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2107 |
| logD: | 2.3366 |
| logSw: | -3.5637 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.23 |
| InChI Key: | BHLCSNOXDNLSFX-JZZBYWGLSA-N |