2-[(3-bromophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(3-bromophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C312-0139 |
| Compound Name: | 2-[(3-bromophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 443.36 |
| Molecular Formula: | C21 H19 Br N2 O2 S |
| Smiles: | C1CCN(C1)C(CN1C(/C(=C\c2cccc(c2)[Br])Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5424 |
| logD: | 4.5424 |
| logSw: | -4.3035 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.828 |
| InChI Key: | AEJDOENXYXCRPE-UHFFFAOYSA-N |