5-chloro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
Chemical Structure Depiction of
5-chloro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
5-chloro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-4486 |
| Compound Name: | 5-chloro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate |
| Molecular Weight: | 424.86 |
| Molecular Formula: | C21 H13 Cl N2 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc2c(c1)oc(c1ccc(cc1OS(c1ccccc1C#N)(=O)=O)[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 5.0787 |
| logD: | 5.0787 |
| logSw: | -5.1737 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.953 |
| InChI Key: | XJPKQRBLIZYESE-UHFFFAOYSA-N |