2-(1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
Chemical Structure Depiction of
2-(1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
2-(1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-4527 |
| Compound Name: | 2-(1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate |
| Molecular Weight: | 376.39 |
| Molecular Formula: | C20 H12 N2 O4 S |
| Smiles: | C(c1ccccc1S(=O)(=O)Oc1ccccc1c1nc2ccccc2o1)#N |
| Stereo: | ACHIRAL |
| logP: | 3.8403 |
| logD: | 3.8403 |
| logSw: | -4.3362 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.953 |
| InChI Key: | PYXUREYGNDXUQR-UHFFFAOYSA-N |