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Home > Imidazoles > 89440-76-6
89440-76-6 | Pyrimidine, 2-[[1-(1H-imidazol-1-yl)-2-methyl-2-phenylpropyl]thio]-
CAS No: 89440-76-6 Catalog No: AG0043S7 MDL No:
Product Description
Catalog Number:
AG0043S7
Chemical Name:
Pyrimidine, 2-[[1-(1H-imidazol-1-yl)-2-methyl-2-phenylpropyl]thio]-
CAS Number:
89440-76-6
Molecular Formula:
C17H18N4S
Molecular Weight:
310.4166
IUPAC Name:
2-(1-imidazol-1-yl-2-methyl-2-phenylpropyl)sulfanylpyrimidine
InChI:
InChI=1S/C17H18N4S/c1-17(2,14-7-4-3-5-8-14)15(21-12-11-18-13-21)22-16-19-9-6-10-20-16/h3-13,15H,1-2H3
InChI Key:
CIRAIGNQSBRBCK-UHFFFAOYSA-N
SMILES:
CC(C(n1ccnc1)Sc1ncccn1)(c1ccccc1)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.419g/mol
Monoisotopic Mass:
310.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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