4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl 4-methylbenzene-1-sulfonate
4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-5671 |
| Compound Name: | 4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C22 H19 N O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C)cc1c1nc2cc(C)ccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.5332 |
| logD: | 5.5332 |
| logSw: | -5.5903 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.897 |
| InChI Key: | PXJRHCQMBGAPOK-UHFFFAOYSA-N |