6-fluoro-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
6-fluoro-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
6-fluoro-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0235 |
| Compound Name: | 6-fluoro-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 380.48 |
| Molecular Formula: | C22 H21 F N2 O S |
| Smiles: | C1CN(CCN1C/C=C/c1ccccc1)C1=CSc2ccc(cc2C1=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.801 |
| logD: | 4.8008 |
| logSw: | -4.7372 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 20.0036 |
| InChI Key: | NSNTUKMHAPPTLK-UHFFFAOYSA-N |