AC1LV126

(Z)-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Also Known As: (2Z)-3-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate|(Z)-3-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid|(Z)-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Molecular Formula	C20H18FN3O4S
Molecular Weight	415.10022 g/mol
LogP	4.05762
Topological Polar Surface Area	97.33 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	415.10022
Monoisotopic Mass	415.10022
Heavy Atoms	29
Complexity	1051.7104

Chemical Identifiers

CAS Number	586985-90-2
SMILES	CC1=NC(=NN1)S/C(=C\C2=CC(=C(C=C2)OCC3=CC=CC=C3F)OC)/C(=O)O