AC1LO4N9

3-[[4-(4-chlorophenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Also Known As: F1743-0063|3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid|3-[[4-(4-chlorophenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid|3-[4-(4-chlorophenyl)-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid|3-[4-(p-chlorophenyl)-5-[(8-quinolyloxy)methyl]-4H-1,2,4-triazol-3-ylthio]propionic acid|3-({4-(4-chlorophenyl)-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)propanoic acid|3-({4-(4-chlorophenyl)-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid

Molecular Formula	C21H17ClN4O3S
Molecular Weight	440.07098 g/mol
LogP	4.6147
Topological Polar Surface Area	90.13 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	440.07098
Monoisotopic Mass	440.07098
Heavy Atoms	30
Complexity	1175.3188

Chemical Identifiers

CAS Number	690249-83-3
SMILES	C1=CC2=C(C(=C1)OCC3=NN=C(N3C4=CC=C(C=C4)Cl)SCCC(=O)O)N=CC=C2