6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-2H-1,4-benzothiazin-3(4H)-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8460 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 587.7 |
| Molecular Formula: | C32 H33 N3 O6 S |
| Smiles: | CCOc1ccc(\C=C2/C(N(C)c3cc(ccc3S2)C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8223 |
| logD: | 3.6307 |
| logSw: | -4.0393 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.252 |
| InChI Key: | MNBHTXSFZJOYJP-UHFFFAOYSA-N |