methyl 2-{2-[3-(3-methoxybenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(3-methoxybenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
methyl 2-{2-[3-(3-methoxybenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F809-1008 |
| Compound Name: | methyl 2-{2-[3-(3-methoxybenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 457.46 |
| Molecular Formula: | C21 H19 N3 O7 S |
| Smiles: | COC(c1ccccc1NC(CN1C(C=CC(=N1)S(c1cccc(c1)OC)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7584 |
| logD: | 1.7513 |
| logSw: | -2.8998 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.272 |
| InChI Key: | RAKKXATUPVFIEF-UHFFFAOYSA-N |