2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(butylsulfanyl)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-(butylsulfanyl)propyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(butylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-5836 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(butylsulfanyl)propyl]acetamide |
| Molecular Weight: | 549.55 |
| Molecular Formula: | C25 H29 Br N2 O3 S2 |
| Smiles: | CCCCSCCCNC(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2905 |
| logD: | 5.2905 |
| logSw: | -5.1402 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.285 |
| InChI Key: | LRYMBFWGFKNKOT-UHFFFAOYSA-N |