AC1MGCR4 structure

AC1MGCR4

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone

Also Known As: CBKinase1_007387|CBKinase1_019787|VU0509374-1|VU0509374-2|BRD-A62870995-001-01-3|F3111-1576|1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-({11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}sulfanyl)ethan-1-one|1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-((7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone|1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone

CAS: 690644-76-9
Molecular Formula C24H27N3O3S2
Molecular Weight 469.14938 g/mol
LogP 4.5103
Topological Polar Surface Area 64.55 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 469.14938
Monoisotopic Mass 469.14938
Heavy Atoms 32
Complexity 1176.9961

Chemical Identifiers

CAS Number 690644-76-9
SMILES CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)N4CCC5=CC(=C(C=C5C4)OC)OC

Product Overview

AC1MGCR4 (CAS 690644-76-9), with molecular formula C24H27N3O3S2 and molecular weight 469.14938 g/mol. IUPAC: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone.

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