3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate
Compound characteristics
| Compound ID: | D316-0132 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C18 H23 N O5 S |
| Smiles: | CCCCC(=O)OC1=C(C(C)=O)N(C(C)C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4595 |
| logD: | 3.4595 |
| logSw: | -3.8593 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.258 |
| InChI Key: | KONMTAJXQZYUEG-UHFFFAOYSA-N |