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Home > Indoles and Oxindole > 104436-54-6
104436-54-6 | Hexanamide, N-[1-[[4-(1H-tetrazol-5-yl)phenyl]methyl]-1H-indol-6-yl]-
CAS No: 104436-54-6 Catalog No: AG007HTG MDL No:
Product Description
Catalog Number:
AG007HTG
Chemical Name:
Hexanamide, N-[1-[[4-(1H-tetrazol-5-yl)phenyl]methyl]-1H-indol-6-yl]-
CAS Number:
104436-54-6
Molecular Formula:
C22H24N6O
Molecular Weight:
388.4656
IUPAC Name:
N-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]hexanamide
InChI:
InChI=1S/C22H24N6O/c1-2-3-4-5-21(29)23-19-11-10-17-12-13-28(20(17)14-19)15-16-6-8-18(9-7-16)22-24-26-27-25-22/h6-14H,2-5,15H2,1H3,(H,23,29)(H,24,25,26,27)
InChI Key:
MQCPNCVYMVAVFJ-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)Nc1ccc2c(c1)n(cc2)Cc1ccc(cc1)c1nnn[nH]1
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.201g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.475g/mol
Monoisotopic Mass:
388.201g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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