methyl 4-[(4-bromobenzoyl)oxy]-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(4-bromobenzoyl)oxy]-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 4-[(4-bromobenzoyl)oxy]-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | D316-0584 |
| Compound Name: | methyl 4-[(4-bromobenzoyl)oxy]-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 480.33 |
| Molecular Formula: | C20 H18 Br N O6 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)[Br])=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5809 |
| logD: | 4.5809 |
| logSw: | -4.5772 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.929 |
| InChI Key: | KWQIRBAQBPAAPB-UHFFFAOYSA-N |