3-acetyl-2-butyl-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-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
3-acetyl-2-butyl-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: | D316-0088 |
| Compound Name: | 3-acetyl-2-butyl-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: | 482.51 |
| Molecular Formula: | C24 H22 N2 O7 S |
| Smiles: | CCCCN1C(=C(c2ccccc2S1(=O)=O)OC(CN1C(c2ccccc2C1=O)=O)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7137 |
| logD: | 2.7137 |
| logSw: | -3.4429 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.374 |
| InChI Key: | NDPQGLZWSFYERV-UHFFFAOYSA-N |