AC1M6TKX

4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one

Also Known As: 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one|5-Mercapto-2-phenyl-2,6,7,8,9,10-hexahydro-2,3,4,5a-tetraaza-cyclohepta[e]inden-1-one|2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one|4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one|4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0?,?]tetradeca-1,5,7-trien-3-one|4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0^{2,6}]tetradeca-1,5,7-trien-3-one|4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.02,?]tetradeca-1,5,7-trien-3-one|4-phenyl-8-thioxo-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one

Molecular Formula	C16H16N4OS
Molecular Weight	312.1045 g/mol
LogP	2.97119
Topological Polar Surface Area	55.61 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	312.1045
Monoisotopic Mass	312.1045
Heavy Atoms	22
Complexity	951.92163

Chemical Identifiers

CAS Number	721908-07-2
SMILES	C1CCC2=C3C(=NC(=S)N2CC1)NN(C3=O)C4=CC=CC=C4