3-(cycloheptylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(cycloheptylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
3-(cycloheptylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E882-0445 |
| Compound Name: | 3-(cycloheptylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 311.42 |
| Molecular Formula: | C20 H25 N O2 |
| Smiles: | Cc1cc(C)c(cc1C)C1=C(C(C1=O)=O)NC1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.2344 |
| logD: | 5.2344 |
| logSw: | -4.9855 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.273 |
| InChI Key: | XKIOXUSTZINEDK-UHFFFAOYSA-N |