methyl 4-[(3,4-dioxo-2-phenylcyclobut-1-en-1-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3,4-dioxo-2-phenylcyclobut-1-en-1-yl)amino]benzoate
methyl 4-[(3,4-dioxo-2-phenylcyclobut-1-en-1-yl)amino]benzoate
Compound characteristics
| Compound ID: | E470-0475 |
| Compound Name: | methyl 4-[(3,4-dioxo-2-phenylcyclobut-1-en-1-yl)amino]benzoate |
| Molecular Weight: | 307.3 |
| Molecular Formula: | C18 H13 N O4 |
| Smiles: | COC(c1ccc(cc1)NC1=C(C(C1=O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1685 |
| logD: | 3.1546 |
| logSw: | -3.5288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.068 |
| InChI Key: | LFTZHYRFRLCJOZ-UHFFFAOYSA-N |