3-{3-[(but-3-en-1-yl)oxy]phenyl}-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{3-[(but-3-en-1-yl)oxy]phenyl}-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,4-triazin-5(2H)-one
3-{3-[(but-3-en-1-yl)oxy]phenyl}-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V003-9594 |
| Compound Name: | 3-{3-[(but-3-en-1-yl)oxy]phenyl}-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C26 H28 F N5 O3 |
| Salt: | not_available |
| Smiles: | C=CCCOc1cccc(c1)C1NN=C(CCC(N2CCN(CC2)c2ccc(cc2)F)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4066 |
| logD: | 3.4066 |
| logSw: | -3.6873 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.379 |
| InChI Key: | MQPFZRZMZCAWQF-UHFFFAOYSA-N |