3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Compound characteristics
| Compound ID: | D316-0150 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate |
| Molecular Weight: | 468.48 |
| Molecular Formula: | C23 H20 N2 O7 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(CN1C(c2ccccc2C1=O)=O)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5637 |
| logD: | 2.5637 |
| logSw: | -3.0133 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.511 |
| InChI Key: | PMNOMRJMPQWDGB-UHFFFAOYSA-N |