methyl 2-{[2-(3,4-dimethylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(3,4-dimethylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
methyl 2-{[2-(3,4-dimethylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | E470-0608 |
| Compound Name: | methyl 2-{[2-(3,4-dimethylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C20 H17 N O4 |
| Smiles: | Cc1ccc(cc1C)C1=C(C(C1=O)=O)Nc1ccccc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.196 |
| logD: | 3.8895 |
| logSw: | -4.3313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.37 |
| InChI Key: | FTFIBGPDSDFSHY-UHFFFAOYSA-N |