3-{[2-(3,4-diethoxyphenyl)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-diethoxyphenyl)ethyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-1022 |
| Compound Name: | 3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 436.46 |
| Molecular Formula: | C24 H24 N2 O6 |
| Smiles: | CCOc1ccc(CCNC2=C(C(C2=O)=O)c2ccc3c(c2)OCC(N3)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 1.8178 |
| logD: | 1.8177 |
| logSw: | -2.3827 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.749 |
| InChI Key: | BDVMRCNCWCVREB-UHFFFAOYSA-N |