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497172-36-8 | 2,6-Bis[(4R,5S)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]pyridine
CAS No: 497172-36-8 Catalog No: AG0037T5 MDL No:
Product Description
Catalog Number:
AG0037T5
Chemical Name:
2,6-Bis[(4R,5S)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]pyridine
CAS Number:
497172-36-8
Molecular Formula:
C35H27N3O2
Molecular Weight:
521.6078
IUPAC Name:
(4R,5S)-2-[6-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C35H27N3O2/c1-5-14-24(15-6-1)30-32(26-18-9-3-10-19-26)39-34(37-30)28-22-13-23-29(36-28)35-38-31(25-16-7-2-8-17-25)33(40-35)27-20-11-4-12-21-27/h1-23,30-33H/t30-,31-,32+,33+/m1/s1
InChI Key:
SMYDLHVQRYQCDL-FYZVQMPESA-N
SMILES:
c1ccc(cc1)[C@H]1N=C(O[C@H]1c1ccccc1)c1cccc(n1)C1=N[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1
Properties
Complexity:
809
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
521.21g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
521.62g/mol
Monoisotopic Mass:
521.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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