methyl 4-{[2-(4-chlorophenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-chlorophenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
methyl 4-{[2-(4-chlorophenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | E786-0175 |
| Compound Name: | methyl 4-{[2-(4-chlorophenyl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate |
| Molecular Weight: | 341.75 |
| Molecular Formula: | C18 H12 Cl N O4 |
| Smiles: | COC(c1ccc(cc1)NC1=C(C(C1=O)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8683 |
| logD: | 3.8544 |
| logSw: | -4.4959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.068 |
| InChI Key: | LJBZGCFLPVIDCS-UHFFFAOYSA-N |