3-(4-benzylpiperazin-1-yl)-4-({[1-(dimethylamino)cyclohexyl]methyl}amino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-benzylpiperazin-1-yl)-4-({[1-(dimethylamino)cyclohexyl]methyl}amino)cyclobut-3-ene-1,2-dione
3-(4-benzylpiperazin-1-yl)-4-({[1-(dimethylamino)cyclohexyl]methyl}amino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | IB07-6439 |
| Compound Name: | 3-(4-benzylpiperazin-1-yl)-4-({[1-(dimethylamino)cyclohexyl]methyl}amino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C24 H34 N4 O2 |
| Smiles: | CN(C)C1(CCCCC1)CNC1=C(C(C1=O)=O)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.71 |
| logD: | 0.64 |
| logSw: | -3.77 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.22 |
| InChI Key: | JOMRNSISCUZZKG-UHFFFAOYSA-N |