3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
Chemical Structure Depiction of
3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate
Compound characteristics
| Compound ID: | D239-0148 |
| Compound Name: | 3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl furan-2-carboxylate |
| Molecular Weight: | 481.48 |
| Molecular Formula: | C24 H19 N O8 S |
| Smiles: | CCOC(CN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccco1)=O)C(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3414 |
| logD: | 3.3414 |
| logSw: | -3.9029 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.843 |
| InChI Key: | VYMYIZPZJBKMRJ-UHFFFAOYSA-N |