2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K788-5831 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide |
| Molecular Weight: | 530.48 |
| Molecular Formula: | C25 H28 Br N3 O3 S |
| Smiles: | CCN1CCCC1CNC(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8836 |
| logD: | 2.9003 |
| logSw: | -3.8916 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.078 |
| InChI Key: | GFFJEXLVMBCJMH-GOSISDBHSA-N |