AC1LUT6P

ethyl 4-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Also Known As: BAS 02323830|AG-690/40753503|ethyl 4-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|ethyl 4-({[(5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate|ethyl 4-({[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate|ethyl 4-(2-((5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ethyl 4-(2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-phenyl-1,2,4-triazol- 3-ylthio}acetylamino)benzoate

Molecular Formula	C26H26N6O3S2
Molecular Weight	534.15076 g/mol
LogP	4.87394
Topological Polar Surface Area	111.89 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	534.15076
Monoisotopic Mass	534.15076
Heavy Atoms	37
Complexity	1356.8397

Chemical Identifiers

CAS Number	335397-87-0
SMILES	CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC(=CC(=N4)C)C