methyl 4-{[3,4-dioxo-2-(2,4,5-trimethylphenyl)cyclobut-1-en-1-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3,4-dioxo-2-(2,4,5-trimethylphenyl)cyclobut-1-en-1-yl]amino}benzoate
methyl 4-{[3,4-dioxo-2-(2,4,5-trimethylphenyl)cyclobut-1-en-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | E882-0583 |
| Compound Name: | methyl 4-{[3,4-dioxo-2-(2,4,5-trimethylphenyl)cyclobut-1-en-1-yl]amino}benzoate |
| Molecular Weight: | 349.38 |
| Molecular Formula: | C21 H19 N O4 |
| Smiles: | Cc1cc(C)c(cc1C)C1=C(C(C1=O)=O)Nc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6845 |
| logD: | 4.6753 |
| logSw: | -4.4796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.068 |
| InChI Key: | DVRCARZVJYCQBX-UHFFFAOYSA-N |