2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(3-chlorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(3-chlorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(3-chlorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8924 |
| Compound Name: | 2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(3-chlorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 624.16 |
| Molecular Formula: | C35 H30 Cl N3 O4 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3999 |
| logD: | 6.2083 |
| logSw: | -6.3905 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.374 |
| InChI Key: | MSRCDPCNZXCMPW-UHFFFAOYSA-N |