AC1LYZ8U structure

AC1LYZ8U

10-[(4-bromophenyl)methylsulfanyl]-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Also Known As: 2-((4-bromobenzyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one|2-[(4-bromobenzyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one|10-{[(4-bromophenyl)methyl]sulfanyl}-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one

CAS: 613227-06-8
Molecular Formula C22H16BrClN2OS2
Molecular Weight 501.9576 g/mol
LogP 6.6441
Topological Polar Surface Area 34.89 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 501.9576
Monoisotopic Mass 501.9576
Heavy Atoms 29
Complexity 1263.4523

Chemical Identifiers

CAS Number 613227-06-8
SMILES C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)Br)C5=CC=C(C=C5)Cl

Product Overview

AC1LYZ8U (CAS 613227-06-8), with molecular formula C22H16BrClN2OS2 and molecular weight 501.9576 g/mol. IUPAC: 10-[(4-bromophenyl)methylsulfanyl]-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.

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