methyl 4-{[(2,5-dioxopyrrolidin-1-yl)acetyl]oxy}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[(2,5-dioxopyrrolidin-1-yl)acetyl]oxy}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 4-{[(2,5-dioxopyrrolidin-1-yl)acetyl]oxy}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | D316-0526 |
| Compound Name: | methyl 4-{[(2,5-dioxopyrrolidin-1-yl)acetyl]oxy}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 408.38 |
| Molecular Formula: | C17 H16 N2 O8 S |
| Smiles: | CN1C(=C(c2ccccc2S1(=O)=O)OC(CN1C(CCC1=O)=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.3103 |
| logD: | 0.3103 |
| logSw: | -2.3463 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 104.575 |
| InChI Key: | NMXUROJVHBNLOK-UHFFFAOYSA-N |