3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0888 |
| Compound Name: | 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-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: | COc1ccc(CCNC2=C(C(C2=O)=O)c2ccc3c(c2)OCC(N3)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3265 |
| logD: | 1.3265 |
| logSw: | -2.1366 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.589 |
| InChI Key: | GSAZVNRVZUYMRT-UHFFFAOYSA-N |