4-ethyl-5-methyl-6-{3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
4-ethyl-5-methyl-6-{3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
4-ethyl-5-methyl-6-{3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D527-0156 |
| Compound Name: | 4-ethyl-5-methyl-6-{3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C28 H32 N6 O2 |
| Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(N2CCN(CC2)c2cccc(C)c2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1429 |
| logD: | 4.1429 |
| logSw: | -4.1743 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.86 |
| InChI Key: | VRHDFYQAOJFCPX-UHFFFAOYSA-N |