N-(4-methoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(4-methoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
Compound ID: | F804-0538 |
Compound Name: | N-(4-methoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
Molecular Weight: | 421.48 |
Molecular Formula: | C21 H19 N5 O3 S |
Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(Nc3ccc(cc3)OC)=O)C(N2N=1)=O |
Stereo: | ACHIRAL |
logP: | 4.2726 |
logD: | 4.2726 |
logSw: | -4.1925 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.869 |
InChI Key: | QNOMIOCLPWQGGZ-UHFFFAOYSA-N |