3-(3,4-dimethoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dimethoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
3-(3,4-dimethoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0271 |
| Compound Name: | 3-(3,4-dimethoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione |
| Molecular Weight: | 309.32 |
| Molecular Formula: | C18 H15 N O4 |
| Smiles: | COc1ccc(cc1OC)NC1=C(C(C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6127 |
| logD: | 2.6069 |
| logSw: | -3.2429 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.155 |
| InChI Key: | KWEOJSOOPCEBAH-UHFFFAOYSA-N |