4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-2299 |
| Compound Name: | 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C29 H26 F N3 O4 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(CN1C(/C(=C/c2ccccc2F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3626 |
| logD: | 4.1711 |
| logSw: | -4.3433 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.118 |
| InChI Key: | IPNXLMRJYYJLFA-UHFFFAOYSA-N |