3-(3-chloro-4-methoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-chloro-4-methoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
3-(3-chloro-4-methoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0426 |
| Compound Name: | 3-(3-chloro-4-methoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione |
| Molecular Weight: | 313.74 |
| Molecular Formula: | C17 H12 Cl N O3 |
| Smiles: | COc1ccc(cc1[Cl])NC1=C(C(C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5884 |
| logD: | 3.5444 |
| logSw: | -3.7843 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.525 |
| InChI Key: | ZPMHHGZKJQKFHL-UHFFFAOYSA-N |