2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
Chemical Structure Depiction of
2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-8225 |
| Compound Name: | 2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate |
| Molecular Weight: | 390.42 |
| Molecular Formula: | C21 H14 N2 O4 S |
| Smiles: | Cc1cccc2c1nc(c1ccccc1OS(c1ccccc1C#N)(=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.2396 |
| logD: | 4.2396 |
| logSw: | -4.6152 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.724 |
| InChI Key: | HHSWRFSGDQNPAA-UHFFFAOYSA-N |