methyl 2-{2-[3-(3-fluorobenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(3-fluorobenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
methyl 2-{2-[3-(3-fluorobenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F809-0865 |
| Compound Name: | methyl 2-{2-[3-(3-fluorobenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 445.42 |
| Molecular Formula: | C20 H16 F N3 O6 S |
| Smiles: | COC(c1ccccc1NC(CN1C(C=CC(=N1)S(c1cccc(c1)F)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8682 |
| logD: | 1.861 |
| logSw: | -3.0475 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.729 |
| InChI Key: | DFTLOYQDSUHEPY-UHFFFAOYSA-N |