2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-(3-ethoxypropyl)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-ethoxypropyl)acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-(3-ethoxypropyl)acetamide
Compound characteristics
| Compound ID: | K788-5827 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-(3-ethoxypropyl)acetamide |
| Molecular Weight: | 505.43 |
| Molecular Formula: | C23 H25 Br N2 O4 S |
| Smiles: | CCOCCCNC(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8206 |
| logD: | 3.8206 |
| logSw: | -3.9288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.262 |
| InChI Key: | SHEMRBRTKHWZFZ-UHFFFAOYSA-N |