STK095043
(E)-1-(4-bromophenyl)-N-[(12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methoxy]ethanimine
Also Known As: BAS 01024165|BIM-0000787.P001|AE-848/12917018|(1E)-1-(4-bromophenyl)-N-[(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]ethanimine|(E)-1-(4-bromophenyl)ethanone O-((8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl) oxime|1-(4-bromophenyl)ethanone O-[(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime
| Molecular Formula | C23H25BrN6OS |
|---|---|
| Molecular Weight | 512.09937 g/mol |
| LogP | 5.2017 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.09937 |
| Monoisotopic Mass | 512.09937 |
| Heavy Atoms | 32 |
| Complexity | 1352.5876 |
Chemical Identifiers
| CAS Number | 333775-08-9 |
|---|---|
| SMILES | C/C(=N\OCC1=NN2C=NC3=C(C2=N1)C4=C(S3)C(NC(C4)(C)C)(C)C)/C5=CC=C(C=C5)Br |
Product Overview
STK095043 (CAS 333775-08-9), with molecular formula C23H25BrN6OS and molecular weight 512.09937 g/mol. IUPAC: (E)-1-(4-bromophenyl)-N-[(12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methoxy]ethanimine.