6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one
6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
Compound ID: | V020-8959 |
Compound Name: | 6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one |
Molecular Weight: | 493.54 |
Molecular Formula: | C26 H28 F N5 O4 |
Salt: | not_available |
Smiles: | COc1cc(ccc1OCC=C)C1NN=C(CCC(N2CCN(CC2)c2ccc(cc2)F)=O)C(N=1)=O |
Stereo: | ACHIRAL |
logP: | 2.6262 |
logD: | 2.6262 |
logSw: | -3.1108 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.096 |
InChI Key: | GVHGJUPTLWGYAC-UHFFFAOYSA-N |