AC1LD57N

9-thia-11,13,15,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene

Also Known As: 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine|SR-01000005284-1|F0239-0757|3H-cyclohepta(b)thieno[2,3-d]pyrimido[3,4-a]-1,2,4-triazole|9-thia-11,13,15,16-tetraazatetracyclo[8.7.0.0^{2,8}.0^{13,17}]heptadeca-1(10),2(8),11,14,16-pentaene|8,9,10,11-Tetrahydro-7H-6-thia-1,2,3a,5-tetraaza-cyclohepta[b]-as-indacene|1,2,3,4,5,9-hexahydrocyclohepta[1,2-d]1,2,4-triazolo[4',3'-1,6]pyrimidino[4,5- b]thiophene|8H-Cyclohepta[4,5]thieno[3,2-E]-1,2,4-triazolo[4,3-c]pyrimidine, 9,10,11,12-tetrahydro-|9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine #|9-thia-11,13,15,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene

Molecular Formula	C12H12N4S
Molecular Weight	244.07826 g/mol
LogP	3.6
Topological Polar Surface Area	71.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	244.07826
Monoisotopic Mass	244.07826
Heavy Atoms	17
Complexity	300.0

Chemical Identifiers

CAS Number	40106-83-0
SMILES	C1CCC2=C(CC1)SC3=C2C4=NN=CN4C=N3
InChIKey	OAHHGZDYXATDKX-UHFFFAOYSA-N