3-ethoxy-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-ethoxy-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
3-ethoxy-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0098 |
| Compound Name: | 3-ethoxy-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C18 H22 N2 O3 |
| Smiles: | CCOC1=C(C(C1=O)=O)N1CCN(C(C)C1)c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2511 |
| logD: | 3.2511 |
| logSw: | -3.2074 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.345 |
| InChI Key: | XAEHOIPXGHAQKA-ZDUSSCGKSA-N |