AC1N621S
9-(3,4-dimethoxyphenyl)-13-(2-methylphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
Also Known As: 12-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol|12-(3,4-dimethoxyphenyl)-2-(o-tolyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
CAS: 848754-30-3
| Molecular Formula | C27H22N4O4 |
|---|---|
| Molecular Weight | 466.1641 g/mol |
| LogP | 5.10842 |
| Topological Polar Surface Area | 91.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.1641 |
| Monoisotopic Mass | 466.1641 |
| Heavy Atoms | 35 |
| Complexity | 1594.231 |
Chemical Identifiers
| CAS Number | 848754-30-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C=C(C=C5)O)C6=CC(=C(C=C6)OC)OC |
Product Overview
AC1N621S (CAS 848754-30-3), with molecular formula C27H22N4O4 and molecular weight 466.1641 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-13-(2-methylphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol.
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.
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