2-(3-acetyl-1H-indol-1-yl)-1-[rel-(6aR,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]ethan-1-one (incorrect configuration definition!, stereo bonds ar e allowed only between chiral and achiral atoms!)
Chemical Structure Depiction of
2-(3-acetyl-1H-indol-1-yl)-1-[rel-(6aR,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]ethan-1-one (incorrect configuration definition!, stereo bonds ar e allowed only between chiral and achiral atoms!)
2-(3-acetyl-1H-indol-1-yl)-1-[rel-(6aR,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]ethan-1-one (incorrect configuration definition!, stereo bonds ar e allowed only between chiral and achiral atoms!)
Compound characteristics
| Compound ID: | Y044-5612 |
| Compound Name: | 2-(3-acetyl-1H-indol-1-yl)-1-[rel-(6aR,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]ethan-1-one (incorrect configuration definition!, stereo bonds ar e allowed only between chiral and achiral atoms!) |
| Molecular Weight: | 431.58 |
| Molecular Formula: | C27 H33 N3 O2 |
| Smiles: | CC(c1cn(CC(N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]23)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7351 |
| logD: | 1.6633 |
| logSw: | -2.9548 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.236 |
| InChI Key: | JPDWODBGKJNCFG-PZVKHKFBSA-N |