methyl 2-{[2-(4-methylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(4-methylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
methyl 2-{[2-(4-methylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | K906-3954 |
| Compound Name: | methyl 2-{[2-(4-methylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate |
| Molecular Weight: | 321.33 |
| Molecular Formula: | C19 H15 N O4 |
| Smiles: | Cc1ccc(cc1)C1=C(C(C1=O)=O)Nc1ccccc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6542 |
| logD: | 2.8495 |
| logSw: | -3.9444 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.37 |
| InChI Key: | LRQVMSLPNGYXAE-UHFFFAOYSA-N |