3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenoxyacetate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenoxyacetate
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenoxyacetate
Compound characteristics
| Compound ID: | D316-0145 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenoxyacetate |
| Molecular Weight: | 415.46 |
| Molecular Formula: | C21 H21 N O6 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(COc1ccccc1)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1864 |
| logD: | 3.1864 |
| logSw: | -3.6728 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.486 |
| InChI Key: | DYMMHQRGJQTOSF-UHFFFAOYSA-N |