6-(tert-butylsulfanyl)-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-(tert-butylsulfanyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
6-(tert-butylsulfanyl)-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: | F804-1083 |
| Compound Name: | 6-(tert-butylsulfanyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C21 H25 F N6 O2 S |
| Smiles: | CC(C)(C)SC1C=CC2=NN(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0939 |
| logD: | 3.0939 |
| logSw: | -3.1214 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.101 |
| InChI Key: | KBWFDZNVBJOSAP-UHFFFAOYSA-N |