4,5-dimethyl-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
4,5-dimethyl-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
4,5-dimethyl-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D527-0010 |
| Compound Name: | 4,5-dimethyl-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 456.55 |
| Molecular Formula: | C26 H28 N6 O2 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CCC(N2CCN(CC2)c2ccccc2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1626 |
| logD: | 3.1625 |
| logSw: | -3.1376 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.901 |
| InChI Key: | OBVWOOLSYJGIPZ-UHFFFAOYSA-N |