2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-oxo[1,2,4]triazolo[1,5-c]quinazolin-6(5H)-yl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-oxo[1,2,4]triazolo[1,5-c]quinazolin-6(5H)-yl}-N-(4-fluorophenyl)acetamide
2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-oxo[1,2,4]triazolo[1,5-c]quinazolin-6(5H)-yl}-N-(4-fluorophenyl)acetamide
Compound characteristics
Compound ID: | C695-0113 |
Compound Name: | 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-oxo[1,2,4]triazolo[1,5-c]quinazolin-6(5H)-yl}-N-(4-fluorophenyl)acetamide |
Molecular Weight: | 459.48 |
Molecular Formula: | C24 H22 F N7 O2 |
Smiles: | Cc1cc(C)n(CCc2nc3c4ccccc4N(CC(Nc4ccc(cc4)F)=O)C(n3n2)=O)n1 |
Stereo: | ACHIRAL |
logP: | 2.4816 |
logD: | 2.4799 |
logSw: | -3.1543 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.22 |
InChI Key: | HNRPHTSXESMKPZ-UHFFFAOYSA-N |