rel-(6aR,13aS)-N-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)-carbothioamide
Chemical Structure Depiction of
rel-(6aR,13aS)-N-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)-carbothioamide
rel-(6aR,13aS)-N-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)-carbothioamide
Compound characteristics
| Compound ID: | 8018-0215 |
| Compound Name: | rel-(6aR,13aS)-N-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)-carbothioamide |
| Molecular Weight: | 305.48 |
| Molecular Formula: | C17 H27 N3 S |
| Smiles: | [H][C@@]12C(CCCN2C(NC)=S)=C[C@@H]2C[C@@H]1CN1CCCC[C@@]12[H] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8674 |
| logD: | 0.9801 |
| logSw: | -2.1315 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.9269 |
| InChI Key: | AVNJZKYCMSPOEY-XUWVNRHRSA-N |