AC1NMFCW

6-[[4-(4-fluorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Also Known As: 6-((4-(4-fluorophenyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione|F0648-0783|6-[[4-(4-fluorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione|6-{[4-(4-fluorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

Molecular Formula	C20H15FN6O4S
Molecular Weight	454.08594 g/mol
LogP	2.5743
Topological Polar Surface Area	139.57 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	454.08594
Monoisotopic Mass	454.08594
Heavy Atoms	32
Complexity	1367.968

Chemical Identifiers

CAS Number	852154-52-0
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4