ethyl 2-{[4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}benzoate
Chemical Structure Depiction of
ethyl 2-{[4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}benzoate
ethyl 2-{[4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}benzoate
Compound characteristics
| Compound ID: | V030-7030 |
| Compound Name: | ethyl 2-{[4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}benzoate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C24 H21 N O6 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccccc1S(=O)(=O)Oc1ccc(C)cc1c1nc2cc(C)ccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2278 |
| logD: | 5.2278 |
| logSw: | -5.0229 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.65 |
| InChI Key: | MCTDHISGXSCUNQ-UHFFFAOYSA-N |