3-{[3-(dimethylamino)propyl]amino}-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[3-(dimethylamino)propyl]amino}-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
3-{[3-(dimethylamino)propyl]amino}-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | IB05-8123 |
| Compound Name: | 3-{[3-(dimethylamino)propyl]amino}-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 343.43 |
| Molecular Formula: | C18 H25 N5 O2 |
| Smiles: | CN(C)CCCNC1=C(C(C1=O)=O)N1CCN(CC1)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 1.07 |
| logD: | -1.32 |
| logSw: | -2.07 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.09 |
| InChI Key: | BATCDLPFBMMOOS-UHFFFAOYSA-N |