3-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
3-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E882-0609 |
| Compound Name: | 3-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 402.54 |
| Molecular Formula: | C26 H30 N2 O2 |
| Smiles: | CC1CCN(CC1)Cc1ccc(cc1)NC1=C(C(C1=O)=O)c1cc(C)c(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 5.4332 |
| logD: | 3.9834 |
| logSw: | -5.3591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.627 |
| InChI Key: | CSHLPOFKMWROGI-UHFFFAOYSA-N |