AC1NKY36 structure

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

CAS: 902012-18-4
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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