2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P032-1014 |
| Compound Name: | 2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 472.55 |
| Molecular Formula: | C26 H28 N6 O3 |
| Smiles: | CC1=CC2=NN(CC(N3CCN(CC3)c3ccc(cc3)OC)=O)C(N2C(c2ccc(C)cc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1674 |
| logD: | 3.041 |
| logSw: | -3.2272 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.921 |
| InChI Key: | FEEKLKILAIAPNK-UHFFFAOYSA-N |