2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8480 |
| Compound Name: | 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C28 H29 N5 O4 S |
| Smiles: | CCOc1ccc(\C=C2/C(N(C)c3cc(ccc3S2)C(N2CCN(CC2)c2ncccn2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4347 |
| logD: | 3.4347 |
| logSw: | -3.8217 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.218 |
| InChI Key: | QJGBYADGEJFAEH-UHFFFAOYSA-N |