AC1OOERE

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

Also Known As: F2649-0103|ethyl 2-(2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|ethyl 2-[[2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate|ethyl 2-(2-((4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ethyl o-({[4-amino-5-(4-pyridyl)-4H-1,2,4-triazol-3-ylthio]methyl}carbonylamino)benzoate|ethyl 2-[({[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Molecular Formula	C18H18N6O3S
Molecular Weight	398.11612 g/mol
LogP	1.9614
Topological Polar Surface Area	125.02 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	398.11612
Monoisotopic Mass	398.11612
Heavy Atoms	28
Complexity	976.4621

Chemical Identifiers

CAS Number	905781-34-2
SMILES	CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3