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Home > Bromides > 2160555-51-9
2160555-51-9 | 1-(5-bromopentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide
CAS No: 2160555-51-9 Catalog No: AG01EQ7Z MDL No:
Product Description
Catalog Number:
AG01EQ7Z
Chemical Name:
1-(5-bromopentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide
CAS Number:
2160555-51-9
Molecular Formula:
C23H30BrN3O
Molecular Weight:
444.4078
IUPAC Name:
N-(1-adamantyl)-1-(5-bromopentyl)indazole-3-carboxamide
InChI:
InChI=1S/C23H30BrN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28)
InChI Key:
JKYXWDCDKGVNGP-UHFFFAOYSA-N
SMILES:
BrCCCCCn1nc(c2c1cccc2)C(=O)NC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.157g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.417g/mol
Monoisotopic Mass:
443.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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