4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-2093 |
| Compound Name: | 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 537.6 |
| Molecular Formula: | C29 H26 F3 N3 O2 S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1682 |
| logD: | 5.1528 |
| logSw: | -5.3718 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.002 |
| InChI Key: | CJDXXKCHRJFZFV-UHFFFAOYSA-N |