ethyl 3-(4-{3-[(4-fluorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)benzoate
Chemical Structure Depiction of
ethyl 3-(4-{3-[(4-fluorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)benzoate
ethyl 3-(4-{3-[(4-fluorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)benzoate
Compound characteristics
| Compound ID: | F616-0033 |
| Compound Name: | ethyl 3-(4-{3-[(4-fluorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)benzoate |
| Molecular Weight: | 489.52 |
| Molecular Formula: | C26 H20 F N3 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(c1ccc(cc1)N1C(C=CC(=N1)Sc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4337 |
| logD: | 5.4333 |
| logSw: | -5.4433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.393 |
| InChI Key: | PXQQAABAYLGOIJ-UHFFFAOYSA-N |