3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | D316-0143 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate |
| Molecular Weight: | 415.46 |
| Molecular Formula: | C21 H21 N O6 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)OC)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5501 |
| logD: | 3.5501 |
| logSw: | -3.7984 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.125 |
| InChI Key: | SWCDVCYDCSMSKK-UHFFFAOYSA-N |