methyl 4-{2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C201-1104 |
| Compound Name: | methyl 4-{2-[6-(benzenesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 467.46 |
| Molecular Formula: | C21 H17 N5 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2C(C=CC(=N2)S(c2ccccc2)(=O)=O)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5118 |
| logD: | 2.5118 |
| logSw: | -2.8954 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.636 |
| InChI Key: | DHIZAZUFVKDYRR-UHFFFAOYSA-N |