2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-5806 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide |
| Molecular Weight: | 575.59 |
| Molecular Formula: | C27 H31 Br N2 O3 S2 |
| Smiles: | COc1ccc(\C=C2/C(N(CC(NCCCSC3CCCCC3)=O)c3ccccc3S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.8417 |
| logD: | 5.8417 |
| logSw: | -5.2958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.205 |
| InChI Key: | OKIXBQGCHBWGKR-UHFFFAOYSA-N |