AC1M0D9X

13-benzyl-3-[(2-fluorophenyl)methylsulfanyl]-7-prop-2-enyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one

Also Known As: 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|8-benzyl-1-[(2-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Molecular Formula	C27H24FN5OS2
Molecular Weight	517.1406 g/mol
LogP	5.2814
Topological Polar Surface Area	55.43 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	517.1406
Monoisotopic Mass	517.1406
Heavy Atoms	36
Complexity	1639.3104

Chemical Identifiers

CAS Number	848669-87-4
SMILES	C=CCN1C(=O)C2=C(N3C1=NN=C3SCC4=CC=CC=C4F)SC5=C2CCN(C5)CC6=CC=CC=C6