N-[(2H-1,3-benzodioxol-5-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
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-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
N-[(2H-1,3-benzodioxol-5-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
Compound characteristics
| Compound ID: | Y044-5212 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-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 |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C24 H31 N3 O3 |
| Smiles: | C1CCN2C[C@H]3CC(C=C4CCCN(C34)C(NCc3ccc4c(c3)OCO4)=O)C2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7658 |
| logD: | 1.8917 |
| logSw: | -3.1684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.191 |
| InChI Key: | CMDLPOPJXJYAMB-SSPASSIJSA-N |