AC1NJXTV

ethyl 4-[[2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Also Known As: ethyl 4-(2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ethyl 4-[({[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|ethyl 4-[[2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|ethyl 4-{2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetylamin o}benzoate

Molecular Formula	C22H21N7O3S
Molecular Weight	463.14267 g/mol
LogP	2.9565
Topological Polar Surface Area	140.81 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	463.14267
Monoisotopic Mass	463.14267
Heavy Atoms	33
Complexity	1252.7523

Chemical Identifiers

CAS Number	879475-86-2
SMILES	CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4