rel-(6aR,13aS)-N-(2-fluorophenyl)-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-(2-fluorophenyl)-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-(2-fluorophenyl)-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: | 8018-0216 |
| Compound Name: | rel-(6aR,13aS)-N-(2-fluorophenyl)-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: | 385.55 |
| Molecular Formula: | C22 H28 F N3 S |
| Smiles: | [H][C@@]12C(CCCN2C(Nc2ccccc2F)=S)=C[C@@H]2C[C@@H]1CN1CCCC[C@@]12[H] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8724 |
| logD: | 2.9851 |
| logSw: | -3.9701 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.4849 |
| InChI Key: | AMMVHVUHCPVNCO-KJNZLNQQSA-N |