3-(3-chloroanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-chloroanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-(3-chloroanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0872 |
| Compound Name: | 3-(3-chloroanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 354.75 |
| Molecular Formula: | C18 H11 Cl N2 O4 |
| Smiles: | C1C(Nc2ccc(cc2O1)C1=C(C(C1=O)=O)Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8941 |
| logD: | 2.8834 |
| logSw: | -3.395 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.165 |
| InChI Key: | NANHVIOSZAMUOH-UHFFFAOYSA-N |