3-acetyl-1,1-dioxo-2-propanoyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-propanoyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
3-acetyl-1,1-dioxo-2-propanoyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Compound characteristics
| Compound ID: | D316-0502 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-propanoyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate |
| Molecular Weight: | 351.38 |
| Molecular Formula: | C16 H17 N O6 S |
| Smiles: | CCC(N1C(=C(c2ccccc2S1(=O)=O)OC(CC)=O)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5741 |
| logD: | 1.5741 |
| logSw: | -2.5065 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.594 |
| InChI Key: | LGTOGNGUNRYSDD-UHFFFAOYSA-N |