6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4-methyl-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4-methyl-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4-methyl-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-7397 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4-methyl-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 527.64 |
| Molecular Formula: | C30 H29 N3 O4 S |
| Smiles: | Cc1cccc(\C=C2/C(N(C)c3cc(ccc3S2)C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3522 |
| logD: | 4.1607 |
| logSw: | -4.3292 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.411 |
| InChI Key: | QSUZZTNUMOICBT-UHFFFAOYSA-N |