methyl 4-[2-({6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | L383-0131 |
| Compound Name: | methyl 4-[2-({6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C24 H24 F N5 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1ccc(nn1)N1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2472 |
| logD: | 4.2471 |
| logSw: | -4.1506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.57 |
| InChI Key: | WDMTZYVJOYHUFF-UHFFFAOYSA-N |