5-chloro-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 2-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-chloro-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 2-methoxybenzene-1-sulfonate
5-chloro-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 2-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-5132 |
| Compound Name: | 5-chloro-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 2-methoxybenzene-1-sulfonate |
| Molecular Weight: | 429.88 |
| Molecular Formula: | C21 H16 Cl N O5 S |
| Smiles: | Cc1cccc2c1nc(c1ccc(cc1OS(c1ccccc1OC)(=O)=O)[Cl])o2 |
| Stereo: | ACHIRAL |
| logP: | 5.4793 |
| logD: | 5.4793 |
| logSw: | -6.0031 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.298 |
| InChI Key: | XKAUDDPEUXIAIK-UHFFFAOYSA-N |