3-{[2-(4-benzylpiperazin-1-yl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[2-(4-benzylpiperazin-1-yl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-{[2-(4-benzylpiperazin-1-yl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0980 |
| Compound Name: | 3-{[2-(4-benzylpiperazin-1-yl)ethyl]amino}-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C26 H31 N3 O2 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)NCCN1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7403 |
| logD: | 3.5874 |
| logSw: | -3.9191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.581 |
| InChI Key: | IXDJSQVMIKPXBO-UHFFFAOYSA-N |