methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | D316-0592 |
| Compound Name: | methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 484.48 |
| Molecular Formula: | C23 H20 N2 O8 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(CN1C(c2ccccc2C1=O)=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.743 |
| logD: | 2.743 |
| logSw: | -3.4171 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 102.858 |
| InChI Key: | YZIUKNKJBGCGMB-UHFFFAOYSA-N |