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151670-69-8 | 2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine
CAS No: 151670-69-8 Catalog No: AG00AE70 MDL No:MFCD23704921
Product Description
Catalog Number:
AG00AE70
Chemical Name:
2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine
CAS Number:
151670-69-8
Molecular Formula:
C25H23N3O2
Molecular Weight:
397.4690
MDL Number:
MFCD23704921
IUPAC Name:
(4S)-4-benzyl-2-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C25H23N3O2/c1-3-8-18(9-4-1)14-20-16-29-24(26-20)22-12-7-13-23(28-22)25-27-21(17-30-25)15-19-10-5-2-6-11-19/h1-13,20-21H,14-17H2/t20-,21-/m0/s1
InChI Key:
ZBONTXCYJLVGLR-SFTDATJTSA-N
SMILES:
C1OC(=N[C@H]1Cc1ccccc1)c1cccc(n1)C1=N[C@H](CO1)Cc1ccccc1
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
397.179g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.478g/mol
Monoisotopic Mass:
397.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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