3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
Compound characteristics
| Compound ID: | D316-0058 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C18 H17 N O6 S |
| Smiles: | CCCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccco1)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4682 |
| logD: | 2.4682 |
| logSw: | -2.8086 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.023 |
| InChI Key: | IYHZLWIIFZNEHF-UHFFFAOYSA-N |