AC1LOW4S

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

Also Known As: ethyl 4-(2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|Ethyl 4-[[2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate|ethyl 4-(2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|ethyl 4-[2-(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzoat e|ethyl 4-[({[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Molecular Formula	C23H20N6O3S
Molecular Weight	460.13177 g/mol
LogP	3.6318
Topological Polar Surface Area	111.89 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	460.13177
Monoisotopic Mass	460.13177
Heavy Atoms	33
Complexity	1230.3135

Chemical Identifiers

CAS Number	712282-93-4
SMILES	CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4