2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | F046-0515 |
| Compound Name: | 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C24 H26 F N5 O2 S |
| Smiles: | CSc1ccc(CNC(CN2C(C=CC(=N2)N2CCN(CC2)c2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2262 |
| logD: | 3.2262 |
| logSw: | -3.4239 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.856 |
| InChI Key: | XWSRHKLTYCINBH-UHFFFAOYSA-N |