3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-ethoxycyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-ethoxycyclobut-3-ene-1,2-dione
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-ethoxycyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0087 |
| Compound Name: | 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-ethoxycyclobut-3-ene-1,2-dione |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C18 H22 N2 O3 |
| Smiles: | CCOC1=C(C(C1=O)=O)N1CCN(CC1)c1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 3.6421 |
| logD: | 3.642 |
| logSw: | -3.6773 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.826 |
| InChI Key: | KHNINFAPTKSXBP-UHFFFAOYSA-N |