3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-(4-phenylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-(4-phenylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-(4-phenylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0914 |
| Compound Name: | 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-(4-phenylpiperazin-1-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C22 H19 N3 O4 |
| Smiles: | C1CN(CCN1C1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5621 |
| logD: | 2.5621 |
| logSw: | -3.2347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.684 |
| InChI Key: | SZYGYUSNNLZIIG-UHFFFAOYSA-N |