AC1N9D7A

2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaen-5-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

Also Known As: 2-((5-(benzylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-ethoxyphenyl)acetamide|2-{[5-(benzylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

Molecular Formula	C27H25N5O2S3
Molecular Weight	547.11707 g/mol
LogP	6.2495
Topological Polar Surface Area	81.41 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	547.11707
Monoisotopic Mass	547.11707
Heavy Atoms	37
Complexity	1564.5797

Chemical Identifiers

CAS Number	577763-12-3
SMILES	CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)CCC5)SCC6=CC=CC=C6