3-(3,4-dimethoxyanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dimethoxyanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-(3,4-dimethoxyanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0850 |
| Compound Name: | 3-(3,4-dimethoxyanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C20 H16 N2 O6 |
| Smiles: | COc1ccc(cc1OC)NC1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6755 |
| logD: | 1.6726 |
| logSw: | -2.3375 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.425 |
| InChI Key: | IYYDWSWQVKIODI-UHFFFAOYSA-N |