3-[4-(diethylamino)-2-methylanilino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[4-(diethylamino)-2-methylanilino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-[4-(diethylamino)-2-methylanilino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-1006 |
| Compound Name: | 3-[4-(diethylamino)-2-methylanilino]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C23 H23 N3 O4 |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NC1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2411 |
| logD: | 3.0315 |
| logSw: | -3.2586 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.203 |
| InChI Key: | NSMUSEZXUZMSTI-UHFFFAOYSA-N |