2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8490 |
| Compound Name: | 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 547.65 |
| Molecular Formula: | C30 H30 F N3 O4 S |
| Smiles: | CCOc1ccc(\C=C2/C(N(C)c3cc(ccc3S2)C(N2CCN(CC2)c2ccccc2F)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4486 |
| logD: | 4.4486 |
| logSw: | -4.3479 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.555 |
| InChI Key: | NXNKSTSOIMXLHU-UHFFFAOYSA-N |