3-[({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
3-[({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | C906-0082 |
| Compound Name: | 3-[({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 472.59 |
| Molecular Formula: | C28 H32 N4 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc(CNC2=C(C(C2=O)=O)N2CCCC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6815 |
| logD: | 3.6761 |
| logSw: | -3.8279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.832 |
| InChI Key: | HIDXTLUDBPHCHY-UHFFFAOYSA-N |