2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0100 |
| Compound Name: | 2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 617.77 |
| Molecular Formula: | C37 H35 N3 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.7905 |
| logD: | 6.5989 |
| logSw: | -5.5489 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.374 |
| InChI Key: | HXCOLCYHSPQYAK-UHFFFAOYSA-N |