3-{[(4-methylphenyl)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-{[(4-methylphenyl)methyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-{[(4-methylphenyl)methyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0909 |
| Compound Name: | 3-{[(4-methylphenyl)methyl]amino}-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 348.36 |
| Molecular Formula: | C20 H16 N2 O4 |
| Smiles: | Cc1ccc(CNC2=C(C(C2=O)=O)c2ccc3c(c2)OCC(N3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1278 |
| logD: | 2.1277 |
| logSw: | -2.9278 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.487 |
| InChI Key: | NVOQAVRGWOETCZ-UHFFFAOYSA-N |