2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(morpholin-4-yl)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-(morpholin-4-yl)propyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(morpholin-4-yl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-5962 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(morpholin-4-yl)propyl]acetamide |
| Molecular Weight: | 546.48 |
| Molecular Formula: | C25 H28 Br N3 O4 S |
| Smiles: | COc1ccc(/C=C2/C(N(CC(NCCCN3CCOCC3)=O)c3ccccc3S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0201 |
| logD: | 2.5966 |
| logSw: | -3.4226 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.904 |
| InChI Key: | SITMLMDVVISFGC-UHFFFAOYSA-N |