2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-(2-methoxy-5-methylphenyl)acetamide
Chemical Structure Depiction of
2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-(2-methoxy-5-methylphenyl)acetamide
2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-(2-methoxy-5-methylphenyl)acetamide
Compound characteristics
Compound ID: | F804-1138 |
Compound Name: | 2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-(2-methoxy-5-methylphenyl)acetamide |
Molecular Weight: | 439.47 |
Molecular Formula: | C21 H18 F N5 O3 S |
Smiles: | Cc1ccc(c(c1)NC(CN1C(N2C(C=CC(=N2)Sc2cccc(c2)F)=N1)=O)=O)OC |
Stereo: | ACHIRAL |
logP: | 3.6226 |
logD: | 3.6226 |
logSw: | -3.8422 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.258 |
InChI Key: | FRHKVQZGDJTOQT-UHFFFAOYSA-N |