AC1LYPA0 structure

AC1LYPA0

1-(4-bromophenyl)-2-[(8-ethyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]ethanone

Also Known As: 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone|1-(4-bromophenyl)-2-[(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]ethanone

CAS: 373377-29-8
Molecular Formula C23H20BrN3OS2
Molecular Weight 497.02313 g/mol
LogP 6.4182
Topological Polar Surface Area 55.74 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 497.02313
Monoisotopic Mass 497.02313
Heavy Atoms 30
Complexity 1267.4094

Chemical Identifiers

CAS Number 373377-29-8
SMILES CCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)SCC(=O)C5=CC=C(C=C5)Br

Product Overview

AC1LYPA0 (CAS 373377-29-8), with molecular formula C23H20BrN3OS2 and molecular weight 497.02313 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(8-ethyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]ethanone.

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