VGDYIBDYDIKKTR-BRJLIKDPSA-N
(E)-1-(4-bromophenyl)-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)ethanimine
Also Known As: BAS 01024163|BIM-0033766.P001|AG-690/12869686|(E)-1-(4-bromophenyl)ethanone O-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl) oxime|(1E)-1-(4-bromophenyl)-N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethoxy)ethanimine|(E)-1-(4-Bromophenyl)-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)ethanimine|1-(4-bromophenyl)ethanone O-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl)oxime
| Molecular Formula | C20H18BrN5OS |
|---|---|
| Molecular Weight | 455.04153 g/mol |
| LogP | 4.9211 |
| Topological Polar Surface Area | 64.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.04153 |
| Monoisotopic Mass | 455.04153 |
| Heavy Atoms | 28 |
| Complexity | 1194.978 |
Chemical Identifiers
| CAS Number | 333775-06-7 |
|---|---|
| SMILES | C/C(=N\OCC1=NN2C=NC3=C(C2=N1)C4=C(S3)CCCC4)/C5=CC=C(C=C5)Br |
Product Overview
VGDYIBDYDIKKTR-BRJLIKDPSA-N (CAS 333775-06-7), with molecular formula C20H18BrN5OS and molecular weight 455.04153 g/mol. IUPAC: (E)-1-(4-bromophenyl)-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)ethanimine.