methyl {3-benzoyl-1,1-dioxo-4-[(phenylacetyl)oxy]-1lambda~6~,2-benzothiazin-2(1H)-yl}acetate
Chemical Structure Depiction of
methyl {3-benzoyl-1,1-dioxo-4-[(phenylacetyl)oxy]-1lambda~6~,2-benzothiazin-2(1H)-yl}acetate
methyl {3-benzoyl-1,1-dioxo-4-[(phenylacetyl)oxy]-1lambda~6~,2-benzothiazin-2(1H)-yl}acetate
Compound characteristics
| Compound ID: | D239-0134 |
| Compound Name: | methyl {3-benzoyl-1,1-dioxo-4-[(phenylacetyl)oxy]-1lambda~6~,2-benzothiazin-2(1H)-yl}acetate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C26 H21 N O7 S |
| Smiles: | COC(CN1C(=C(c2ccccc2S1(=O)=O)OC(Cc1ccccc1)=O)C(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7322 |
| logD: | 3.7322 |
| logSw: | -4.1868 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.09 |
| InChI Key: | RCVQLFSEZKRLHV-UHFFFAOYSA-N |