AC1N85LD

ethyl 4-[[2-[[4-(2,3-dimethylphenyl)-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Also Known As: F0772-1638|ethyl 4-(2-((4-(2,3-dimethylphenyl)-5-((2-(trifluoromethyl)benzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ethyl 4-(2-{[4-(2,3-dimethylphenyl)-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|ethyl 4-[[2-[[4-(2,3-dimethylphenyl)-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|ethyl p-{[(5-{[o-(trifluoromethyl)benzylamino]methyl}-4-(2,3-xylyl)-4H-1,2,4-triazol-3-ylthio)methyl]carbonylamino}benzoate

Molecular Formula	C30H28F3N5O4S
Molecular Weight	611.1814 g/mol
LogP	5.74044
Topological Polar Surface Area	115.21 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	10
Exact Mass	611.1814
Monoisotopic Mass	611.1814
Heavy Atoms	43
Complexity	1637.7483

Chemical Identifiers

CAS Number	394663-40-2
SMILES	CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3C)C)CNC(=O)C4=CC=CC=C4C(F)(F)F