AC1MXBW5
6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
Also Known As: 2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-14-phenyl-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-((2-isopropyl-5-methylphenoxy)methyl)-14-phenyl-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C33H28N4O2 |
|---|---|
| Molecular Weight | 512.22125 g/mol |
| LogP | 7.57422 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.22125 |
| Monoisotopic Mass | 512.22125 |
| Heavy Atoms | 39 |
| Complexity | 1842.3944 |
Chemical Identifiers
| CAS Number | 844862-53-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C6=CC=CC=C6C=C5)C7=CC=CC=C7 |
Product Overview
AC1MXBW5 (CAS 844862-53-9), with molecular formula C33H28N4O2 and molecular weight 512.22125 g/mol. IUPAC: 6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene.
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