VHJHWUQVPWFFDC-MSXFZWOLSA-N
2-[4-[(Z)-[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-bromo-6-ethoxyphenoxy]acetonitrile
Also Known As: AK-968/12971251|2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile|2-[4-[(Z)-[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-bromo-6-ethoxyphenoxy]acetonitrile|{2-bromo-6-ethoxy-4-[(Z)-{2,4,6-trioxo-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]tetrahydropyrimidin-5(2H)-ylidene}methyl]phenoxy}acetonitrile
| Molecular Formula | C31H30BrN3O5 |
|---|---|
| Molecular Weight | 603.1369 g/mol |
| LogP | 5.88438 |
| Topological Polar Surface Area | 108.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 603.1369 |
| Monoisotopic Mass | 603.1369 |
| Heavy Atoms | 40 |
| Complexity | 1423.2654 |
Chemical Identifiers
| CAS Number | 355000-34-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)Br)OCC#N |
Product Overview
VHJHWUQVPWFFDC-MSXFZWOLSA-N (CAS 355000-34-9), with molecular formula C31H30BrN3O5 and molecular weight 603.1369 g/mol. IUPAC: 2-[4-[(Z)-[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-bromo-6-ethoxyphenoxy]acetonitrile.