2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[1-(4-butoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[1-(4-butoxyphenyl)ethyl]acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[1-(4-butoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K788-3366 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[1-(4-butoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 565.53 |
| Molecular Formula: | C29 H29 Br N2 O3 S |
| Smiles: | CCCCOc1ccc(cc1)C(C)NC(CN1C(/C(=C\c2cccc(c2)[Br])Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0728 |
| logD: | 7.0728 |
| logSw: | -5.5428 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.122 |
| InChI Key: | QUYKUEBOBBFXLI-FQEVSTJZSA-N |