1-(4-methoxybenzene-1-sulfonyl)-1,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine
Chemical Structure Depiction of
1-(4-methoxybenzene-1-sulfonyl)-1,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine
1-(4-methoxybenzene-1-sulfonyl)-1,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine
Compound characteristics
| Compound ID: | Y040-3116 |
| Compound Name: | 1-(4-methoxybenzene-1-sulfonyl)-1,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine |
| Molecular Weight: | 402.55 |
| Molecular Formula: | C22 H30 N2 O3 S |
| Smiles: | COc1ccc(cc1)S(N1CCCC2=CC3CC(CN4CCCCC34)C12)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9633 |
| logD: | 2.3094 |
| logSw: | -3.3629 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.316 |
| InChI Key: | OEHFYGYYYQJAMU-UHFFFAOYSA-N |