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Home > Fluorides > 114667-74-2
114667-74-2 | Guanidine, N-[3-(3,4-difluorophenyl)-3-(2-pyridinyl)propyl]-N'-[3-(1H-imidazol-5-yl)propyl]-
CAS No: 114667-74-2 Catalog No: AG000EZC MDL No:
Product Description
Catalog Number:
AG000EZC
Chemical Name:
Guanidine, N-[3-(3,4-difluorophenyl)-3-(2-pyridinyl)propyl]-N'-[3-(1H-imidazol-5-yl)propyl]-
CAS Number:
114667-74-2
Molecular Formula:
C21H24F2N6
Molecular Weight:
398.4523
IUPAC Name:
1-[3-(3,4-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
InChI:
InChI=1S/C21H24F2N6/c22-18-7-6-15(12-19(18)23)17(20-5-1-2-9-26-20)8-11-28-21(24)27-10-3-4-16-13-25-14-29-16/h1-2,5-7,9,12-14,17H,3-4,8,10-11H2,(H,25,29)(H3,24,27,28)
InChI Key:
ZHUPJEZTXBUHGR-UHFFFAOYSA-N
SMILES:
N=C(NCCCc1[nH]cnc1)NCCC(c1ccc(c(c1)F)F)c1ccccn1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.203g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
398.462g/mol
Monoisotopic Mass:
398.203g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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