3-[2-(2-anilinoethenyl)-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
Chemical Structure Depiction of
3-[2-(2-anilinoethenyl)-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
3-[2-(2-anilinoethenyl)-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
Compound characteristics
| Compound ID: | 8010-2200 |
| Compound Name: | 3-[2-(2-anilinoethenyl)-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C24 H22 N2 O4 S |
| Smiles: | C(C[n+]1c2cc(ccc2oc1/C=C/Nc1ccccc1)c1ccccc1)CS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1623 |
| logD: | 3.1622 |
| logSw: | -3.5871 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.067 |
| InChI Key: | JNVLGWGAWCKESX-UHFFFAOYSA-N |