3-[(2-methoxyphenyl)methyl]-1,2-benzoxazol-6-yl benzenesulfonate
Chemical Structure Depiction of
3-[(2-methoxyphenyl)methyl]-1,2-benzoxazol-6-yl benzenesulfonate
3-[(2-methoxyphenyl)methyl]-1,2-benzoxazol-6-yl benzenesulfonate
Compound characteristics
| Compound ID: | Y041-5474 |
| Compound Name: | 3-[(2-methoxyphenyl)methyl]-1,2-benzoxazol-6-yl benzenesulfonate |
| Molecular Weight: | 395.43 |
| Molecular Formula: | C21 H17 N O5 S |
| Smiles: | COc1ccccc1Cc1c2ccc(cc2on1)OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7675 |
| logD: | 4.7675 |
| logSw: | -4.771 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.053 |
| InChI Key: | CTYRDFCHACJAPA-UHFFFAOYSA-N |