3-hydroxy-4-(4-phenylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-hydroxy-4-(4-phenylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
3-hydroxy-4-(4-phenylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0478 |
| Compound Name: | 3-hydroxy-4-(4-phenylpiperazin-1-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 258.27 |
| Molecular Formula: | C14 H14 N2 O3 |
| Smiles: | C1CN(CCN1C1=C(C(C1=O)=O)O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3561 |
| logD: | -2.9236 |
| logSw: | -1.8866 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.757 |
| InChI Key: | KSUIXBVEYWVSOK-UHFFFAOYSA-N |