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282097-63-6
Catalog No.:AA01FPB0

282097-63-6 | S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraaza-1,4,7,10-tetra(2-carbamoylmethyl)cyclododecane

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Technical Information
Catalog Number:
AA01FPB0
Chemical Name:
S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraaza-1,4,7,10-tetra(2-carbamoylmethyl)cyclododecane
CAS Number:
282097-63-6
Molecular Formula:
C24H37N9O4S
Molecular Weight:
547.6735
SMILES:
C1CN(CCN(C(CN(CCN1CC(=O)N)CC(=O)N)CC2=CC=C(C=C2)N=C=S)CC(=O)N)CC(=O)N
Properties
Computed Properties
 
Complexity:
862  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
11  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.6  

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SDS
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Tags:282097-63-6 Molecular Formula|282097-63-6 MDL|282097-63-6 SMILES|282097-63-6 S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraaza-1,4,7,10-tetra(2-carbamoylmethyl)cyclododecane