3-[(2-phenylethyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[(2-phenylethyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
3-[(2-phenylethyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E882-0508 |
| Compound Name: | 3-[(2-phenylethyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C21 H21 N O2 |
| Smiles: | Cc1cc(C)c(cc1C)C1=C(C(C1=O)=O)NCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2627 |
| logD: | 4.2626 |
| logSw: | -4.325 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.058 |
| InChI Key: | CWNHDUSZSJEUOB-UHFFFAOYSA-N |