methyl 4-{2-[3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
methyl 4-{2-[3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | Y044-1235 |
| Compound Name: | methyl 4-{2-[3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 381.36 |
| Molecular Formula: | C20 H16 F N3 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(C=CC(c2ccc(cc2)F)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1327 |
| logD: | 3.1327 |
| logSw: | -3.3552 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.871 |
| InChI Key: | JIHMCCIOHMCSIS-UHFFFAOYSA-N |