3-(3-chloroanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-chloroanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione
3-(3-chloroanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0837 |
| Compound Name: | 3-(3-chloroanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 313.74 |
| Molecular Formula: | C17 H12 Cl N O3 |
| Smiles: | COc1ccc(cc1)C1=C(C(C1=O)=O)Nc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9188 |
| logD: | 3.8974 |
| logSw: | -4.3094 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.438 |
| InChI Key: | SXZGNRYMERKOKW-UHFFFAOYSA-N |