3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
Compound characteristics
| Compound ID: | D097-0019 |
| Compound Name: | 3-benzoyl-2-ethyl-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: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(COc1ccc(cc1)OC)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0473 |
| logD: | 4.0473 |
| logSw: | -4.2708 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.279 |
| InChI Key: | QSAHJPFEVGKZEC-UHFFFAOYSA-N |