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1012042-02-2 | Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-(2-phenylethyl)-2-oxazolyl]-
CAS No: 1012042-02-2 Catalog No: AG0003YB MDL No:
Product Description
Catalog Number:
AG0003YB
Chemical Name:
Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-(2-phenylethyl)-2-oxazolyl]-
CAS Number:
1012042-02-2
Molecular Formula:
C27H27N3O2
Molecular Weight:
425.5222
IUPAC Name:
(4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C27H27N3O2/c1-3-8-20(9-4-1)14-16-22-18-31-26(28-22)24-12-7-13-25(30-24)27-29-23(19-32-27)17-15-21-10-5-2-6-11-21/h1-13,22-23H,14-19H2/t22-,23-/m0/s1
InChI Key:
IYRZZMJRGHERQU-GOTSBHOMSA-N
SMILES:
C([C@H]1COC(=N1)c1cccc(n1)C1=N[C@H](CO1)CCc1ccccc1)Cc1ccccc1
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
425.21g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.532g/mol
Monoisotopic Mass:
425.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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