3-(2,5-diethoxyanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(2,5-diethoxyanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-(2,5-diethoxyanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-1003 |
| Compound Name: | 3-(2,5-diethoxyanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C22 H20 N2 O6 |
| Smiles: | CCOc1ccc(c(c1)NC1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.9563 |
| logD: | 2.9213 |
| logSw: | -3.3567 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.801 |
| InChI Key: | WXSDOEBOSFJERC-UHFFFAOYSA-N |