AC1NJR5R

2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

Also Known As: 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide|2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide|2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide|2-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-[3,5- bis(trifluoromethyl)phenyl]acetamide

Molecular Formula	C21H14F7N7OS
Molecular Weight	545.08685 g/mol
LogP	4.9565
Topological Polar Surface Area	114.51 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	545.08685
Monoisotopic Mass	545.08685
Heavy Atoms	37
Complexity	1396.2621

Chemical Identifiers

CAS Number	879463-91-9
SMILES	C1=CC(=CC=C1C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)F