3-[butyl(methyl)amino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[butyl(methyl)amino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-[butyl(methyl)amino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0966 |
| Compound Name: | 3-[butyl(methyl)amino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C17 H18 N2 O4 |
| Smiles: | CCCCN(C)C1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0295 |
| logD: | 2.0295 |
| logSw: | -2.8431 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.176 |
| InChI Key: | MCSUTNMOBIYGKB-UHFFFAOYSA-N |