3-[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-[4-(5-chloro-2-methylphenyl)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: | E786-0925 |
| Compound Name: | 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C23 H20 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8447 |
| logD: | 3.8447 |
| logSw: | -4.3163 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.383 |
| InChI Key: | XBQNEZLYFDCTGS-UHFFFAOYSA-N |