methyl 4-(2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}acetamido)benzoate
methyl 4-(2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | F046-0484 |
| Compound Name: | methyl 4-(2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}acetamido)benzoate |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C24 H24 F N5 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(C=CC(=N1)N1CCN(CC1)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0199 |
| logD: | 3.0198 |
| logSw: | -3.3809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.707 |
| InChI Key: | SSGGQYAHCUKNLV-UHFFFAOYSA-N |