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400084-38-0,MFCD01871511
Catalog No.:AA00IUAB

400084-38-0 | 7-methyl-7-(4-nitrophenyl)-3-phenyl-hexahydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione

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Technical Information
Catalog Number:
AA00IUAB
Chemical Name:
7-methyl-7-(4-nitrophenyl)-3-phenyl-hexahydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione
CAS Number:
400084-38-0
Molecular Formula:
C17H15N5O2S2
Molecular Weight:
385.4633
MDL Number:
MFCD01871511
SMILES:
S=C1NC(C2N1N(C(=S)N2)c1ccccc1)(C)c1ccc(cc1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
613  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
2  
XLogP3:
3.1  

Literature
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SDS
Tags:400084-38-0 Molecular Formula|400084-38-0 MDL|400084-38-0 SMILES|400084-38-0 7-methyl-7-(4-nitrophenyl)-3-phenyl-hexahydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione