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(S)-BnPh-SaBOX

CAS No.:
1404433-37-9
Catalog Number:
AG009FQK
Molecular Formula:
C27H26N2O2
Molecular Weight:
410.5075
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Product Description
Catalog Number:
AG009FQK
Chemical Name:
(S)-BnPh-SaBOX
CAS Number:
1404433-37-9
Molecular Formula:
C27H26N2O2
Molecular Weight:
410.5075
MDL Number:
MFCD27978386
IUPAC Name:
(4S)-4-phenyl-2-[1-phenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C27H26N2O2/c1-27(17-20-11-5-2-6-12-20,25-28-23(18-30-25)21-13-7-3-8-14-21)26-29-24(19-31-26)22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3/t23-,24-/m1/s1
InChI Key:
ZTYRVDVKIHBGIV-DNQXCXABSA-N
SMILES:
CC(C1=N[C@H](CO1)c1ccccc1)(C1=N[C@H](CO1)c1ccccc1)Cc1ccccc1
Properties
Complexity:
610  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
410.199g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.517g/mol
Monoisotopic Mass:
410.199g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties