3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0924 |
| Compound Name: | 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C24 H23 N3 O4 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7201 |
| logD: | 3.72 |
| logSw: | -3.9065 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.383 |
| InChI Key: | DMRSPSWOAOYSKK-UHFFFAOYSA-N |