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137292-30-9

137292-30-9 | Pentanoic acid, 5-[[(E)-[1-cyclohexyl-2-(1H-imidazol-1-yl)-3-phenylpropylidene]amino]oxy]-

CAS No: 137292-30-9 Catalog No: AG00132L MDL No:

Product Description

Catalog Number:
AG00132L
Chemical Name:
Pentanoic acid, 5-[[(E)-[1-cyclohexyl-2-(1H-imidazol-1-yl)-3-phenylpropylidene]amino]oxy]-
CAS Number:
137292-30-9
Molecular Formula:
C23H31N3O3
Molecular Weight:
397.5105
IUPAC Name:
5-[(1-cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid
InChI:
InChI=1S/C23H31N3O3/c27-22(28)13-7-8-16-29-25-23(20-11-5-2-6-12-20)21(26-15-14-24-18-26)17-19-9-3-1-4-10-19/h1,3-4,9-10,14-15,18,20-21H,2,5-8,11-13,16-17H2,(H,27,28)
InChI Key:
LBMBJNYANOLTNM-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCO/N=C(/C(n1cncc1)Cc1ccccc1)\C1CCCCC1

Properties

Complexity:
514  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.237g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
397.519g/mol
Monoisotopic Mass:
397.237g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.7  

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