3-(4-acetylpiperazin-1-yl)-4-{[(pyridin-3-yl)methyl]amino}cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-acetylpiperazin-1-yl)-4-{[(pyridin-3-yl)methyl]amino}cyclobut-3-ene-1,2-dione
3-(4-acetylpiperazin-1-yl)-4-{[(pyridin-3-yl)methyl]amino}cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | IB07-8734 |
| Compound Name: | 3-(4-acetylpiperazin-1-yl)-4-{[(pyridin-3-yl)methyl]amino}cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C16 H18 N4 O3 |
| Smiles: | CC(N1CCN(CC1)C1=C(C(C1=O)=O)NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.33 |
| logD: | -0.33 |
| logSw: | -0.69 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.79 |
| InChI Key: | BZPCKTLULZBCCL-UHFFFAOYSA-N |