AC1M10HS

methyl 4-[[2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Also Known As: Methyl 4-[[2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|methyl 4-(2-((4-allyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-(2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|methyl 4-[({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 4-{2-[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetylami no}benzoate

Molecular Formula	C21H19FN4O3S
Molecular Weight	426.11618 g/mol
LogP	3.7876
Topological Polar Surface Area	86.11 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	426.11618
Monoisotopic Mass	426.11618
Heavy Atoms	30
Complexity	1049.1184

Chemical Identifiers

CAS Number	896594-49-3
SMILES	COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F