2-{2-[(3-bromo-4-methoxyphenyl)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-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[1-(4-butoxyphenyl)ethyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[1-(4-butoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K788-5969 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[1-(4-butoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 595.56 |
| Molecular Formula: | C30 H31 Br N2 O4 S |
| Smiles: | CCCCOc1ccc(cc1)C(C)NC(CN1C(/C(=C/c2ccc(c(c2)[Br])OC)Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6456 |
| logD: | 6.6456 |
| logSw: | -5.5471 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.752 |
| InChI Key: | BPHSCGSLLFDSEE-FQEVSTJZSA-N |