ethyl [4-(acetyloxy)-3-benzoyl-1,1-dioxo-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate
Chemical Structure Depiction of
ethyl [4-(acetyloxy)-3-benzoyl-1,1-dioxo-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate
ethyl [4-(acetyloxy)-3-benzoyl-1,1-dioxo-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate
Compound characteristics
| Compound ID: | D239-0141 |
| Compound Name: | ethyl [4-(acetyloxy)-3-benzoyl-1,1-dioxo-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C21 H19 N O7 S |
| Smiles: | CCOC(CN1C(=C(c2ccccc2S1(=O)=O)OC(C)=O)C(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7007 |
| logD: | 2.7007 |
| logSw: | -3.5114 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.638 |
| InChI Key: | YRRMRVNRKIULSV-UHFFFAOYSA-N |