AC1NKY36
9-(3,4-dimethoxyphenyl)-13-pyridin-4-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)-2-(pyridin-4-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)-2-(pyridin-4-yl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one
| Molecular Formula | C25H21N5O4 |
|---|---|
| Molecular Weight | 455.15936 g/mol |
| LogP | 3.7349 |
| Topological Polar Surface Area | 100.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.15936 |
| Monoisotopic Mass | 455.15936 |
| Heavy Atoms | 34 |
| Complexity | 1461.2 |
Chemical Identifiers
| CAS Number | 902012-18-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C5=NC(=NN5C=N4)C6=CC=NC=C6)OC |
Product Overview
AC1NKY36 (CAS 902012-18-4), with molecular formula C25H21N5O4 and molecular weight 455.15936 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-13-pyridin-4-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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