ethyl 4-{2-[3-(3-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[3-(3-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
ethyl 4-{2-[3-(3-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F809-0715 |
| Compound Name: | ethyl 4-{2-[3-(3-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C22 H21 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(C=CC(=N1)S(c1cccc(C)c1)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0804 |
| logD: | 3.0804 |
| logSw: | -3.2994 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.006 |
| InChI Key: | LYCSIZFNNHKZRS-UHFFFAOYSA-N |