methyl 4-{[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]amino}benzoate
methyl 4-{[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | E786-1019 |
| Compound Name: | methyl 4-{[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]amino}benzoate |
| Molecular Weight: | 378.34 |
| Molecular Formula: | C20 H14 N2 O6 |
| Smiles: | COC(c1ccc(cc1)NC1=C(C(C1=O)=O)c1ccc2c(c1)OCC(N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2313 |
| logD: | 2.2243 |
| logSw: | -2.9802 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.338 |
| InChI Key: | BWJMAJDMUPRHCY-UHFFFAOYSA-N |