6-(cyclohexylsulfanyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(cyclohexylsulfanyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
6-(cyclohexylsulfanyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F804-0275 |
| Compound Name: | 6-(cyclohexylsulfanyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C23 H27 F N6 O2 S |
| Smiles: | C1CCC(CC1)SC1C=CC2=NN(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0044 |
| logD: | 4.0043 |
| logSw: | -4.0361 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.021 |
| InChI Key: | OEMLYMJOVSZFTH-UHFFFAOYSA-N |