AC1NKFE7

2-[1-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-yl)ethyl]isoindole-1,3-dione

Also Known As: 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione|2-(1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl)isoindoline-1,3-dione

Molecular Formula	C22H19N5O2S
Molecular Weight	417.12595 g/mol
LogP	3.9651
Topological Polar Surface Area	80.46 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	417.12595
Monoisotopic Mass	417.12595
Heavy Atoms	30
Complexity	1319.5787

Chemical Identifiers

CAS Number	896816-75-4
SMILES	CC(C1=NN2C=NC3=C(C2=N1)C4=C(S3)CCCCC4)N5C(=O)C6=CC=CC=C6C5=O