3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0929 |
| Compound Name: | 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C21 H18 N2 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)NC1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5211 |
| logD: | 1.4944 |
| logSw: | -2.2914 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.143 |
| InChI Key: | WFVDUMXGGFVBSJ-UHFFFAOYSA-N |