6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-5(2H)-one
6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V025-2656 |
| Compound Name: | 6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C26 H30 F N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)COc1ccc(cc1)C1NN=C(CCC(N2CCN(CC2)c2ccc(cc2)F)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5777 |
| logD: | 2.6364 |
| logSw: | -3.6741 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.46 |
| InChI Key: | CHTIVDFEBJVKRS-UHFFFAOYSA-N |