3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Chemical Structure Depiction of
3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Compound characteristics
| Compound ID: | D316-0026 |
| Compound Name: | 3-acetyl-2-benzyl-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: | CC(C1=C(c2ccccc2S(N1Cc1ccccc1)(=O)=O)OC(COc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1225 |
| logD: | 4.1225 |
| logSw: | -4.3686 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.099 |
| InChI Key: | BKLXDPYWHGYZNR-UHFFFAOYSA-N |