3-(4-chlorophenyl)-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
3-(4-chlorophenyl)-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0023 |
| Compound Name: | 3-(4-chlorophenyl)-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 313.74 |
| Molecular Formula: | C17 H12 Cl N O3 |
| Smiles: | COc1cccc(c1)NC1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.844 |
| logD: | 3.8412 |
| logSw: | -4.3555 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.438 |
| InChI Key: | HISRTWSBUKHUSC-UHFFFAOYSA-N |