3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
Chemical Structure Depiction of
3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
Compound characteristics
| Compound ID: | D239-0142 |
| Compound Name: | 3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C26 H21 N O7 S |
| Smiles: | CCOC(CN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccccc1)=O)C(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1133 |
| logD: | 4.1133 |
| logSw: | -4.2611 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.265 |
| InChI Key: | PGEBDNWNDQCZFU-UHFFFAOYSA-N |