3-benzoyl-2-methyl-1,1-dioxo-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-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Compound characteristics
| Compound ID: | 6405-0001 |
| Compound Name: | 3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate |
| Molecular Weight: | 502.5 |
| Molecular Formula: | C26 H18 N2 O7 S |
| Smiles: | CN1C(=C(c2ccccc2S1(=O)=O)OC(CN1C(c2ccccc2C1=O)=O)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6274 |
| logD: | 3.6274 |
| logSw: | -4.0328 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.041 |
| InChI Key: | CSJPZYQPQALSSV-UHFFFAOYSA-N |