4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C312-1678 |
| Compound Name: | 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H24 F3 N3 O2 S |
| Smiles: | CCN1CCN(CC1)C(CN1C(/C(=C\c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0147 |
| logD: | 3.8385 |
| logSw: | -4.0257 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.999 |
| InChI Key: | WUCOFHXADHPUOL-UHFFFAOYSA-N |