N-(4-{[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]amino}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]amino}phenyl)acetamide
N-(4-{[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]amino}phenyl)acetamide
Compound characteristics
| Compound ID: | E786-1005 |
| Compound Name: | N-(4-{[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]amino}phenyl)acetamide |
| Molecular Weight: | 377.35 |
| Molecular Formula: | C20 H15 N3 O5 |
| Smiles: | CC(Nc1ccc(cc1)NC1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3417 |
| logD: | 1.3416 |
| logSw: | -2.0694 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.426 |
| InChI Key: | LNYMHPRDLJDWHI-UHFFFAOYSA-N |