AC1MNE58 structure

AC1MNE58

N-(4-bromophenyl)-2-[(7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetamide

Also Known As: N-(4-bromophenyl)-2-((4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)acetamide|N-(4-bromophenyl)-2-{[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetamide

CAS: 836637-47-9
Molecular Formula C23H21BrN4OS2
Molecular Weight 512.034 g/mol
LogP 6.3449
Topological Polar Surface Area 67.77 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 512.034
Monoisotopic Mass 512.034
Heavy Atoms 31
Complexity 1300.9197

Chemical Identifiers

CAS Number 836637-47-9
SMILES CC(C)C1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC=N4)SCC(=O)NC5=CC=C(C=C5)Br

Product Overview

AC1MNE58 (CAS 836637-47-9), with molecular formula C23H21BrN4OS2 and molecular weight 512.034 g/mol. IUPAC: N-(4-bromophenyl)-2-[(7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetamide.

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