2-(4-chlorophenyl)-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(4-chlorophenyl)-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D527-1057 |
| Compound Name: | 2-(4-chlorophenyl)-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 508.98 |
| Molecular Formula: | C26 H26 Cl F N6 O2 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CCC(N2CCN(CC2)c2ccc(cc2)F)=O)C(n2c1nc(c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.013 |
| logD: | 4.013 |
| logSw: | -4.4956 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.901 |
| InChI Key: | KXNVXFQIDWWGAJ-UHFFFAOYSA-N |