AC1LISNU

1-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one

Also Known As: CBKinase1_008722|CBKinase1_021122|SR-01000284384-1|BRD-K71868082-001-01-8|1-{[5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one|1-[5-(2-furyl)-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)]-3,3-dimethylbutan-2- one|1-((5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one|1-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one

Molecular Formula	C17H19N3O3S
Molecular Weight	345.11472 g/mol
LogP	3.8867
Topological Polar Surface Area	74.06 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	345.11472
Monoisotopic Mass	345.11472
Heavy Atoms	24
Complexity	798.8756

Chemical Identifiers

CAS Number	577696-77-6
SMILES	CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=CO3