3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate
Compound characteristics
| Compound ID: | D097-0052 |
| Compound Name: | 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C26 H21 N O7 S |
| Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccccc1OC(C)=O)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1864 |
| logD: | 4.1864 |
| logSw: | -4.4751 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.669 |
| InChI Key: | BQFYWWZZNSPAOL-UHFFFAOYSA-N |