methyl 4-{2-[3-(4-chlorobenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-(4-chlorobenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
methyl 4-{2-[3-(4-chlorobenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F809-0114 |
| Compound Name: | methyl 4-{2-[3-(4-chlorobenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 461.88 |
| Molecular Formula: | C20 H16 Cl N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(C=CC(=N1)S(c1ccc(cc1)[Cl])(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8755 |
| logD: | 2.8755 |
| logSw: | -3.6927 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.426 |
| InChI Key: | VFSXCNCUIJFJKG-UHFFFAOYSA-N |