AC1MYJDX

2-[(7-methylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-(1-phenylpropan-2-yl)acetamide

Also Known As: 2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(1-phenylpropan-2-yl)acetamide|2-{[5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(1-phenylpropan-2-yl)acetamide

Molecular Formula	C23H25N5OS3
Molecular Weight	483.12213 g/mol
LogP	4.7792
Topological Polar Surface Area	72.18 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	483.12213
Monoisotopic Mass	483.12213
Heavy Atoms	32
Complexity	1267.3539

Chemical Identifiers

CAS Number	836629-85-7
SMILES	CC(CC1=CC=CC=C1)NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)CCCC5)SC