3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Chemical Structure Depiction of
3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Compound characteristics
| Compound ID: | D239-0145 |
| Compound Name: | 3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate |
| Molecular Weight: | 443.47 |
| Molecular Formula: | C22 H21 N O7 S |
| Smiles: | CCC(=O)OC1=C(C(c2ccccc2)=O)N(CC(=O)OCC)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2259 |
| logD: | 3.2259 |
| logSw: | -3.7749 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.941 |
| InChI Key: | DGKJEJGFFZHSNX-UHFFFAOYSA-N |