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1264833-05-7 | Pyridine, 2,6-bis[(4R)-5,5-dibutyl-4,5-dihydro-4-phenyl-2-oxazolyl]-
CAS No: 1264833-05-7 Catalog No: AG000STQ MDL No:
Product Description
Catalog Number:
AG000STQ
Chemical Name:
Pyridine, 2,6-bis[(4R)-5,5-dibutyl-4,5-dihydro-4-phenyl-2-oxazolyl]-
CAS Number:
1264833-05-7
Molecular Formula:
C39H51N3O2
Molecular Weight:
593.8411
IUPAC Name:
(4R)-5,5-dibutyl-2-[6-[(4R)-5,5-dibutyl-4-phenyl-4H-1,3-oxazol-2-yl]pyridin-2-yl]-4-phenyl-4H-1,3-oxazole
InChI:
InChI=1S/C39H51N3O2/c1-5-9-26-38(27-10-6-2)34(30-20-15-13-16-21-30)41-36(43-38)32-24-19-25-33(40-32)37-42-35(31-22-17-14-18-23-31)39(44-37,28-11-7-3)29-12-8-4/h13-25,34-35H,5-12,26-29H2,1-4H3/t34-,35-/m1/s1
InChI Key:
MPMGKVKBEUYUBR-VSJLXWSYSA-N
SMILES:
CCCCC1(CCCC)OC(=N[C@@H]1c1ccccc1)c1cccc(n1)C1=N[C@@H](C(O1)(CCCC)CCCC)c1ccccc1
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
593.398g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
593.856g/mol
Monoisotopic Mass:
593.398g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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