3-({1-[methyl(phenyl)amino]-5-[methyl(phenyl)iminio]penta-1,3-dien-3-yl}oxy)propane-1-sulfonate
Chemical Structure Depiction of
3-({1-[methyl(phenyl)amino]-5-[methyl(phenyl)iminio]penta-1,3-dien-3-yl}oxy)propane-1-sulfonate
3-({1-[methyl(phenyl)amino]-5-[methyl(phenyl)iminio]penta-1,3-dien-3-yl}oxy)propane-1-sulfonate
Compound characteristics
| Compound ID: | 0456-0027 |
| Compound Name: | 3-({1-[methyl(phenyl)amino]-5-[methyl(phenyl)iminio]penta-1,3-dien-3-yl}oxy)propane-1-sulfonate |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | CN(/C=C/C(=C/C=[N+](/C)c1ccccc1)OCCCS([O-])(=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.1789 |
| logD: | 1.167 |
| logSw: | -1.9838 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.977 |
| InChI Key: | RFPDFESDVUGLCK-UHFFFAOYSA-N |