methyl 2-{2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
methyl 2-{2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F804-1031 |
| Compound Name: | methyl 2-{2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C19 H21 N5 O4 S |
| Smiles: | CC(C)(C)SC1C=CC2=NN(CC(Nc3ccccc3C(=O)OC)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0829 |
| logD: | 3.0779 |
| logSw: | -3.4016 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.073 |
| InChI Key: | WRERMRALXNJWLW-UHFFFAOYSA-N |