1-[rel-(1R,5S)-7-(4-methoxybenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]but-2-yn-1-one
Chemical Structure Depiction of
1-[rel-(1R,5S)-7-(4-methoxybenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]but-2-yn-1-one
1-[rel-(1R,5S)-7-(4-methoxybenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-2246 |
| Compound Name: | 1-[rel-(1R,5S)-7-(4-methoxybenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]but-2-yn-1-one |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C17 H20 N2 O5 S |
| Smiles: | CC#CC(N1C[C@H]2CN(C[C@@H](C1)O2)S(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.25 |
| logD: | 1.25 |
| logSw: | -2.341 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.896 |
| InChI Key: | POZCCYHHMUSIMG-GJZGRUSLSA-N |