2-{2-[(3-bromophenyl)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-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C312-0114 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide |
| Molecular Weight: | 500.46 |
| Molecular Formula: | C24 H26 Br N3 O2 S |
| Smiles: | [H]N(CC1CCCN1CC)C(CN1C(/C(=C\c2cccc(c2)[Br])Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3109 |
| logD: | 3.3276 |
| logSw: | -4.1405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.448 |
| InChI Key: | WXAQHMLFVLJRRB-LJQANCHMSA-N |