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568574-77-6,MFCD04608595
Catalog No.:AA019IAT

568574-77-6 | 4-(4-chlorophenyl)-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one

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Technical Information
Catalog Number:
AA019IAT
Chemical Name:
4-(4-chlorophenyl)-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
CAS Number:
568574-77-6
Molecular Formula:
C17H15ClN2OS2
Molecular Weight:
362.8968
MDL Number:
MFCD04608595
SMILES:
CC1CCc2c(C1)sc1c2c(=O)n(c(n1)S)c1ccc(cc1)Cl
Properties
Computed Properties
 
Complexity:
509  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
5.1  

Literature
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SDS
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Tags:568574-77-6 Molecular Formula|568574-77-6 MDL|568574-77-6 SMILES|568574-77-6 4-(4-chlorophenyl)-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one