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185346-09-2 | 2,6-Bis((3aS,8aR);-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl);pyridine
CAS No: 185346-09-2 Catalog No: AG003G1L MDL No:MFCD05861599
Product Description
Catalog Number:
AG003G1L
Chemical Name:
2,6-Bis((3aS,8aR);-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl);pyridine
CAS Number:
185346-09-2
Molecular Formula:
C25H19N3O2
Molecular Weight:
393.4373
MDL Number:
MFCD05861599
IUPAC Name:
(3aR,8bS)-2-[6-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pyridin-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
InChI:
InChI=1S/C25H19N3O2/c1-3-8-16-14(6-1)12-20-22(16)27-24(29-20)18-10-5-11-19(26-18)25-28-23-17-9-4-2-7-15(17)13-21(23)30-25/h1-11,20-23H,12-13H2/t20-,21-,22+,23+/m1/s1
InChI Key:
BZSJUFJXCHHRHW-LUKWVAJMSA-N
SMILES:
c1cc(nc(c1)C1=N[C@@H]2[C@H](O1)Cc1c2cccc1)C1=N[C@@H]2[C@H](O1)Cc1c2cccc1
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
393.148g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.446g/mol
Monoisotopic Mass:
393.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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