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1223020-29-8 | Pyridine, 2,6-bis[(2R,4S,5S)-4,5-diphenyl-1-(phenylmethyl)-2-imidazolidinyl]-
CAS No: 1223020-29-8 Catalog No: AG001728 MDL No:
Product Description
Catalog Number:
AG001728
Chemical Name:
Pyridine, 2,6-bis[(2R,4S,5S)-4,5-diphenyl-1-(phenylmethyl)-2-imidazolidinyl]-
CAS Number:
1223020-29-8
Molecular Formula:
C49H45N5
Molecular Weight:
703.9151
IUPAC Name:
2,6-bis[(2R,4S,5S)-1-benzyl-4,5-diphenylimidazolidin-2-yl]pyridine
InChI:
InChI=1S/C49H45N5/c1-7-20-36(21-8-1)34-53-46(40-28-15-5-16-29-40)44(38-24-11-3-12-25-38)51-48(53)42-32-19-33-43(50-42)49-52-45(39-26-13-4-14-27-39)47(41-30-17-6-18-31-41)54(49)35-37-22-9-2-10-23-37/h1-33,44-49,51-52H,34-35H2/t44-,45-,46-,47-,48+,49+/m0/s1
InChI Key:
XLWFDEFJSJPDND-CTRFHGHOSA-N
SMILES:
c1ccc(cc1)CN1[C@@H](N[C@H]([C@@H]1c1ccccc1)c1ccccc1)c1cccc(n1)[C@@H]1N[C@H]([C@@H](N1Cc1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
703.367g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
703.934g/mol
Monoisotopic Mass:
703.367g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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