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Home > Fluorides > 114667-79-7
114667-79-7 | Guanidine, N-[3-(3,5-difluorophenyl)-3-(2-pyridinyl)propyl]-N'-[3-(1H-imidazol-5-yl)propyl]-
CAS No: 114667-79-7 Catalog No: AG000EZB MDL No:
Product Description
Catalog Number:
AG000EZB
Chemical Name:
Guanidine, N-[3-(3,5-difluorophenyl)-3-(2-pyridinyl)propyl]-N'-[3-(1H-imidazol-5-yl)propyl]-
CAS Number:
114667-79-7
Molecular Formula:
C21H24F2N6
Molecular Weight:
398.4523
IUPAC Name:
1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
InChI:
InChI=1S/C21H24F2N6/c22-16-10-15(11-17(23)12-16)19(20-5-1-2-7-26-20)6-9-28-21(24)27-8-3-4-18-13-25-14-29-18/h1-2,5,7,10-14,19H,3-4,6,8-9H2,(H,25,29)(H3,24,27,28)
InChI Key:
AWNVXDSGXRUHRY-UHFFFAOYSA-N
SMILES:
N=C(NCCCc1cnc[nH]1)NCCC(c1cc(F)cc(c1)F)c1ccccn1
Properties
Complexity:
496
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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