2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide
Compound characteristics
| Compound ID: | K788-5849 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide |
| Molecular Weight: | 507.4 |
| Molecular Formula: | C22 H23 Br N2 O5 S |
| Smiles: | COC(CNC(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Sc2ccccc12)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.937 |
| logD: | 2.937 |
| logSw: | -3.4777 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.937 |
| InChI Key: | XRMRWWUVQFDTQU-UHFFFAOYSA-N |