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88138-10-7 | Cyclohexanecarboxamide, N-[4-[[6-(1H-imidazol-1-yl)hexyl]oxy]phenyl]-
CAS No: 88138-10-7 Catalog No: AG004DGJ MDL No:
Product Description
Catalog Number:
AG004DGJ
Chemical Name:
Cyclohexanecarboxamide, N-[4-[[6-(1H-imidazol-1-yl)hexyl]oxy]phenyl]-
CAS Number:
88138-10-7
Molecular Formula:
C22H31N3O2
Molecular Weight:
369.5004
IUPAC Name:
N-[4-(6-imidazol-1-ylhexoxy)phenyl]cyclohexanecarboxamide
InChI:
InChI=1S/C22H31N3O2/c26-22(19-8-4-3-5-9-19)24-20-10-12-21(13-11-20)27-17-7-2-1-6-15-25-16-14-23-18-25/h10-14,16,18-19H,1-9,15,17H2,(H,24,26)
InChI Key:
VMKNHQFBYCFJOV-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)Nc1ccc(cc1)OCCCCCCn1cncc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.242g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.509g/mol
Monoisotopic Mass:
369.242g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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