AC1LDBYA
9-(3,4-dimethoxyphenyl)-5,5-dimethyl-13-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
Also Known As: 12-(3,4-DIMETHOXYPHENYL)-9,9-DIMETHYL-2-(3-PYRIDYL)-8,9,10,12-TETRAHYDRO-11H-CHROMENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-11-ONE|12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one|12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-(pyridin-3-yl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one
| Molecular Formula | C27H25N5O4 |
|---|---|
| Molecular Weight | 483.19064 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.19064 |
| Monoisotopic Mass | 483.19064 |
| Heavy Atoms | 36 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 848669-90-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)C5=CN=CC=C5)C6=CC(=C(C=C6)OC)OC)C(=O)C1)C |
| InChIKey | ILHLLVFRUXNPDJ-UHFFFAOYSA-N |
Product Overview
AC1LDBYA (CAS 848669-90-9), with molecular formula C27H25N5O4 and molecular weight 483.19064 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-5,5-dimethyl-13-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one.
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