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139021-82-2 | Oxazole, 2,2'-methylenebis[4,5-dihydro-4,5-diphenyl-, (4R,4'R,5S,5'S)-
CAS No: 139021-82-2 Catalog No: AG001A1S MDL No:MFCD01312546
Product Description
Catalog Number:
AG001A1S
Chemical Name:
Oxazole, 2,2'-methylenebis[4,5-dihydro-4,5-diphenyl-, (4R,4'R,5S,5'S)-
CAS Number:
139021-82-2
Molecular Formula:
C31H26N2O2
Molecular Weight:
458.5503
MDL Number:
MFCD01312546
IUPAC Name:
(4R,5S)-2-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C31H26N2O2/c1-5-13-22(14-6-1)28-30(24-17-9-3-10-18-24)34-26(32-28)21-27-33-29(23-15-7-2-8-16-23)31(35-27)25-19-11-4-12-20-25/h1-20,28-31H,21H2/t28-,29-,30+,31+/m1/s1
InChI Key:
BVEHHQYXICTXGR-VKONIRKNSA-N
SMILES:
c1ccc(cc1)[C@H]1N=C(O[C@H]1c1ccccc1)CC1=N[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
458.199g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.561g/mol
Monoisotopic Mass:
458.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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