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Home > Imidazoles > 89440-65-3
89440-65-3 | Pyridine, 4-[[1-(1H-imidazol-1-yl)-2-methyl-2-phenylpropyl]thio]-
CAS No: 89440-65-3 Catalog No: AG0043S8 MDL No:
Product Description
Catalog Number:
AG0043S8
Chemical Name:
Pyridine, 4-[[1-(1H-imidazol-1-yl)-2-methyl-2-phenylpropyl]thio]-
CAS Number:
89440-65-3
Molecular Formula:
C18H19N3S
Molecular Weight:
309.4286
IUPAC Name:
4-(1-imidazol-1-yl-2-methyl-2-phenylpropyl)sulfanylpyridine
InChI:
InChI=1S/C18H19N3S/c1-18(2,15-6-4-3-5-7-15)17(21-13-12-20-14-21)22-16-8-10-19-11-9-16/h3-14,17H,1-2H3
InChI Key:
SCIHMZUVXODFLJ-UHFFFAOYSA-N
SMILES:
CC(C(n1ccnc1)Sc1ccncc1)(c1ccccc1)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.431g/mol
Monoisotopic Mass:
309.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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