6-chloro-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
6-chloro-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
6-chloro-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0121 |
| Compound Name: | 6-chloro-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 396.94 |
| Molecular Formula: | C22 H21 Cl N2 O S |
| Smiles: | C1CN(CCN1C/C=C/c1ccccc1)C1=CSc2ccc(cc2C1=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2564 |
| logD: | 5.2562 |
| logSw: | -5.7342 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 20.0036 |
| InChI Key: | VDTQOMBWIPQBCW-UHFFFAOYSA-N |