3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
Compound characteristics
| Compound ID: | D316-0133 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C18 H17 N O6 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(c1ccco1)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6907 |
| logD: | 2.6907 |
| logSw: | -3.4016 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.16 |
| InChI Key: | HEEXNWIPEXMBDH-UHFFFAOYSA-N |