3-({[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}amino)-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-({[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}amino)-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
3-({[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}amino)-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | C906-0073 |
| Compound Name: | 3-({[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}amino)-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C26 H28 N4 O3 |
| Smiles: | C1CCN(C1)C1=C(C(C1=O)=O)NCc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5236 |
| logD: | 2.5182 |
| logSw: | -2.7771 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.133 |
| InChI Key: | XBHTWIXPTXCGCW-UHFFFAOYSA-N |