methyl 4-{[(2,5-dioxopyrrolidin-1-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-{[(2,5-dioxopyrrolidin-1-yl)acetyl]oxy}-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 4-{[(2,5-dioxopyrrolidin-1-yl)acetyl]oxy}-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | D316-0591 |
| Compound Name: | methyl 4-{[(2,5-dioxopyrrolidin-1-yl)acetyl]oxy}-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 436.44 |
| Molecular Formula: | C19 H20 N2 O8 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(CN1C(CCC1=O)=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.8228 |
| logD: | 0.8228 |
| logSw: | -2.3216 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 103.685 |
| InChI Key: | ZGEVRKSGIZBNTJ-UHFFFAOYSA-N |