C27H22N4O3
methyl 4-(4-methyl-11-phenyl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-9-yl)benzoate
Also Known As: methyl 4-(2-methyl-7-phenyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate|methyl 4-(2-methyl-7-phenyl-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate
CAS: 698380-64-2
| Molecular Formula | C27H22N4O3 |
|---|---|
| Molecular Weight | 450.1692 g/mol |
| LogP | 4.93302 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.1692 |
| Monoisotopic Mass | 450.1692 |
| Heavy Atoms | 34 |
| Complexity | 1424.0278 |
Chemical Identifiers
| CAS Number | 698380-64-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(C3=C2NC4=NC=NN4C3C5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC |
Product Overview
C27H22N4O3 (CAS 698380-64-2), with molecular formula C27H22N4O3 and molecular weight 450.1692 g/mol. IUPAC: methyl 4-(4-methyl-11-phenyl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-9-yl)benzoate.
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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