methyl 2-(4-{3-[(4-fluorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)benzoate
Chemical Structure Depiction of
methyl 2-(4-{3-[(4-fluorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)benzoate
methyl 2-(4-{3-[(4-fluorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)benzoate
Compound characteristics
| Compound ID: | F616-0044 |
| Compound Name: | methyl 2-(4-{3-[(4-fluorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)benzoate |
| Molecular Weight: | 475.5 |
| Molecular Formula: | C25 H18 F N3 O4 S |
| Smiles: | COC(c1ccccc1NC(c1ccc(cc1)N1C(C=CC(=N1)Sc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5745 |
| logD: | 4.1005 |
| logSw: | -4.5314 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.115 |
| InChI Key: | VQCQXQSOLYUSDO-UHFFFAOYSA-N |