3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate
3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate
Compound characteristics
| Compound ID: | D316-0100 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C22 H19 N O7 S |
| Smiles: | CC(C1=C(c2ccccc2S(N1CC=C)(=O)=O)OC(c1ccccc1OC(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8682 |
| logD: | 2.8682 |
| logSw: | -3.5362 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.282 |
| InChI Key: | OZSKITLLZHMITI-UHFFFAOYSA-N |