8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-10H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[1,5-a]pyrimidin-10-one

Base Information

• Chemical Name: 8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-10H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[1,5-a]pyrimidin-10-one
• CAS No.: 339347-32-9
• Molecular Formula: C18H16N4O2S
• Molecular Weight: 352.4
• DSSTox Substance ID: DTXSID101332013
• ChEMBL ID: CHEMBL1896816
• Mol file: 339347-32-9.mol

Synonyms:MLS001047507;CHEMBL1896816;DTXSID101332013;HMS2800D07;STK741152;AKOS005523365;339347-32-9;8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-10H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[1,5-a]pyrimidin-10-one;SMR000427807;4,4-dimethyl-12-phenyl-5-oxa-8-thia-10,12,14,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one;6,6-Dimethyl-1-phenyl-1,5,6,8-tetrahydro-7-oxa-9-thia-1,3,3a,10-tetraaza-cyclopenta[b]fluoren-4-one

Chemical Property of 8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-10H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[1,5-a]pyrimidin-10-one

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 352.09939694
• Heavy Atom Count: 25
• Complexity: 643

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC2=C(CO1)SC3=C2C(=O)N4C(=N3)N(C=N4)C5=CC=CC=C5)C