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1311982-88-3

1311982-88-3 | N-(3-Azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-Methylpiperazin-1-yl)-1H-benzo[d]iMidazol-2-yl)phenoxy)butanaMide

CAS No: 1311982-88-3 Catalog No: AG009CDP MDL No:

Product Description

Catalog Number:
AG009CDP
Chemical Name:
N-(3-Azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-Methylpiperazin-1-yl)-1H-benzo[d]iMidazol-2-yl)phenoxy)butanaMide
CAS Number:
1311982-88-3
Molecular Formula:
C33H48N8O2
Molecular Weight:
588.7866
IUPAC Name:
N-(3-azidopropyl)-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide
InChI:
InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22H,8-10,13-19H2,1-7H3,(H,35,42)(H,37,38)
InChI Key:
LTPQCIXFOJELHJ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCCNC(=O)CCCOc1c(cc(cc1C(C)(C)C)c1nc2c([nH]1)cc(cc2)N1CCN(CC1)C)C(C)(C)C

Properties

Complexity:
910  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.39g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
588.801g/mol
Monoisotopic Mass:
588.39g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3  

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