3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0051 |
| Compound Name: | 3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 362.49 |
| Molecular Formula: | C22 H22 N2 O S |
| Smiles: | C1CN(CCN1C/C=C/c1ccccc1)C1=CSc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.5063 |
| logD: | 4.5058 |
| logSw: | -4.4364 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 20.0036 |
| InChI Key: | ZOKGRJDIYQSZIT-UHFFFAOYSA-N |