AC1MWF98

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

Also Known As: methyl 4-[({[4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 4-(2-((4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-{2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zoate|methyl 4-[[2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Molecular Formula	C18H16FN5O3S
Molecular Weight	401.0958 g/mol
LogP	2.3154
Topological Polar Surface Area	112.13 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	401.0958
Monoisotopic Mass	401.0958
Heavy Atoms	28
Complexity	989.4606

Chemical Identifiers

CAS Number	577763-96-3
SMILES	COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F