2-(1,3-benzoxazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-(1,3-benzoxazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate
2-(1,3-benzoxazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-0838 |
| Compound Name: | 2-(1,3-benzoxazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 379.43 |
| Molecular Formula: | C21 H17 N O4 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C)cc1c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.3178 |
| logD: | 5.3178 |
| logSw: | -5.5451 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.897 |
| InChI Key: | GJULUNQDGHDIKE-UHFFFAOYSA-N |