3-(dimethyl{4-[(3-phenylprop-2-en-1-yl)oxy]but-2-yn-1-yl}azaniumyl)propane-1-sulfonate
Chemical Structure Depiction of
3-(dimethyl{4-[(3-phenylprop-2-en-1-yl)oxy]but-2-yn-1-yl}azaniumyl)propane-1-sulfonate
3-(dimethyl{4-[(3-phenylprop-2-en-1-yl)oxy]but-2-yn-1-yl}azaniumyl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 4095-0068 |
| Compound Name: | 3-(dimethyl{4-[(3-phenylprop-2-en-1-yl)oxy]but-2-yn-1-yl}azaniumyl)propane-1-sulfonate |
| Molecular Weight: | 351.46 |
| Molecular Formula: | C18 H25 N O4 S |
| Smiles: | C[N+](C)(CCCS([O-])(=O)=O)CC#CCOC/C=C/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 0.7382 |
| logD: | 0.7382 |
| logSw: | -1.8416 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.883 |
| InChI Key: | ASFPIJHLNMRIKD-UHFFFAOYSA-N |