3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Compound characteristics
| Compound ID: | D097-0029 |
| Compound Name: | 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C26 H23 N O6 S |
| Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(COc1ccc(C)cc1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4883 |
| logD: | 4.4883 |
| logSw: | -4.4529 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.735 |
| InChI Key: | AVYLRFFMJVACPJ-UHFFFAOYSA-N |