2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C312-1693 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 473.39 |
| Molecular Formula: | C22 H21 Br N2 O3 S |
| Smiles: | COc1ccc(\C=C2/C(N(CC(N3CCCC3)=O)c3ccccc3S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1151 |
| logD: | 4.1151 |
| logSw: | -4.2693 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.458 |
| InChI Key: | GCZQWEUGDCHCDU-UHFFFAOYSA-N |