3-[3-(dimethylamino)-4-methylanilino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[3-(dimethylamino)-4-methylanilino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-[3-(dimethylamino)-4-methylanilino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-1025 |
| Compound Name: | 3-[3-(dimethylamino)-4-methylanilino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C21 H19 N3 O4 |
| Smiles: | Cc1ccc(cc1N(C)C)NC1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.954 |
| logD: | 2.9531 |
| logSw: | -3.2361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.668 |
| InChI Key: | WABNZEDZACYTHM-UHFFFAOYSA-N |