3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate
Compound characteristics
Compound ID: | D097-0020 |
Compound Name: | 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate |
Molecular Weight: | 413.49 |
Molecular Formula: | C22 H23 N O5 S |
Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(C(C)(C)C)=O)C(c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 4.4184 |
logD: | 4.4184 |
logSw: | -4.4393 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 66.103 |
InChI Key: | BGCOZJDKPJHTSI-UHFFFAOYSA-N |