3-(3-chloro-4-methoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-chloro-4-methoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(3-chloro-4-methoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0887 |
| Compound Name: | 3-(3-chloro-4-methoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 355.82 |
| Molecular Formula: | C20 H18 Cl N O3 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)Nc1ccc(c(c1)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 5.0316 |
| logD: | 4.9877 |
| logSw: | -5.4483 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.525 |
| InChI Key: | SPDDTICHDJYMNS-UHFFFAOYSA-N |