3-[4-(2-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-[4-(2-methoxyphenyl)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: | E786-0907 |
| Compound Name: | 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C23 H21 N3 O5 |
| Smiles: | COc1ccccc1N1CCN(CC1)C1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5628 |
| logD: | 2.5627 |
| logSw: | -3.1741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.014 |
| InChI Key: | JVLLNUCUADAHCQ-UHFFFAOYSA-N |