AC1N1CIN
9-(3,4-dimethoxyphenyl)-13-(4-methoxyphenyl)-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-(4-methoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol|12-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
CAS: 848741-55-9
| Molecular Formula | C27H22N4O5 |
|---|---|
| Molecular Weight | 482.15903 g/mol |
| LogP | 4.8086 |
| Topological Polar Surface Area | 100.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.15903 |
| Monoisotopic Mass | 482.15903 |
| Heavy Atoms | 36 |
| Complexity | 1596.6569 |
Chemical Identifiers
| CAS Number | 848741-55-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C=C(C=C5)O)C6=CC(=C(C=C6)OC)OC |
Product Overview
AC1N1CIN (CAS 848741-55-9), with molecular formula C27H22N4O5 and molecular weight 482.15903 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-13-(4-methoxyphenyl)-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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