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105628-70-4,MFCD12031553
Catalog No.:AA0084CU

105628-70-4 | Isoquinoline,1-chloro-5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]-

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Technical Information
Catalog Number:
AA0084CU
Chemical Name:
Isoquinoline,1-chloro-5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]-
CAS Number:
105628-70-4
Molecular Formula:
C14H16ClN3O2S
Molecular Weight:
325.8137
MDL Number:
MFCD12031553
SMILES:
Clc1nccc2c1cccc2S(=O)(=O)N1CCNCCC1
Properties
Computed Properties
 
Complexity:
454  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.9  

Literature
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SDS
Tags:105628-70-4 Molecular Formula|105628-70-4 MDL|105628-70-4 SMILES|105628-70-4 Isoquinoline,1-chloro-5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]-