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1434927-54-4

1434927-54-4 | N-(3-(1H-imidazol-1-yl)propyl)-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

CAS No: 1434927-54-4 Catalog No: AG0039GT MDL No:

Product Description

Catalog Number:
AG0039GT
Chemical Name:
N-(3-(1H-imidazol-1-yl)propyl)-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CAS Number:
1434927-54-4
Molecular Formula:
C18H22FN3O
Molecular Weight:
315.3852
IUPAC Name:
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
InChI:
InChI=1S/C18H22FN3O/c1-17(2)12-18(17,14-4-6-15(19)7-5-14)16(23)21-8-3-10-22-11-9-20-13-22/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,21,23)
InChI Key:
MBTXJGAIMKPLBE-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C1(CC1(C)C)C(=O)NCCCn1cncc1

Properties

Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.175g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.392g/mol
Monoisotopic Mass:
315.175g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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