AC1LL733
10-benzyl-4-[(3,4-dimethoxyphenyl)methyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: BAS 05397741|A3686/0156390|7-benzyl-2-(3,4-dimethoxybenzyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine|4-[(7-BENZYL-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL)METHYL]-2-METHOXYPHENYL METHYL ETHER
CAS: 497075-96-4
| Molecular Formula | C22H20N6O2 |
|---|---|
| Molecular Weight | 400.16476 g/mol |
| LogP | 3.1303 |
| Topological Polar Surface Area | 79.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.16476 |
| Monoisotopic Mass | 400.16476 |
| Heavy Atoms | 30 |
| Complexity | 1325.9929 |
Chemical Identifiers
| CAS Number | 497075-96-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN3C=NC4=C(C3=N2)C=NN4CC5=CC=CC=C5)OC |
Product Overview
AC1LL733 (CAS 497075-96-4), with molecular formula C22H20N6O2 and molecular weight 400.16476 g/mol. IUPAC: 10-benzyl-4-[(3,4-dimethoxyphenyl)methyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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