3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
Chemical Structure Depiction of
3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
Compound characteristics
| Compound ID: | D316-0027 |
| Compound Name: | 3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate |
| Molecular Weight: | 493.53 |
| Molecular Formula: | C26 H23 N O7 S |
| Smiles: | CC(C1=C(c2ccccc2S(N1Cc1ccccc1)(=O)=O)OC(COc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6815 |
| logD: | 3.6815 |
| logSw: | -4.0463 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.642 |
| InChI Key: | RHLCWHIXJSDKPK-UHFFFAOYSA-N |