ethyl 3-{[2-(3,4-dimethylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[2-(3,4-dimethylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
ethyl 3-{[2-(3,4-dimethylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | E470-0594 |
| Compound Name: | ethyl 3-{[2-(3,4-dimethylphenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate |
| Molecular Weight: | 349.38 |
| Molecular Formula: | C21 H19 N O4 |
| Smiles: | CCOC(c1cccc(c1)NC1=C(C(C1=O)=O)c1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.93 |
| logD: | 4.9298 |
| logSw: | -4.5823 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.648 |
| InChI Key: | GCUASGXLOWSYTK-UHFFFAOYSA-N |