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70194-52-4 | Oxazolo[2,3-j]quinoline, 2,3,7,7a,8,9,10,11-octahydro-5,7-diphenyl-
CAS No: 70194-52-4 Catalog No: AG005KPU MDL No:
Product Description
Catalog Number:
AG005KPU
Chemical Name:
Oxazolo[2,3-j]quinoline, 2,3,7,7a,8,9,10,11-octahydro-5,7-diphenyl-
CAS Number:
70194-52-4
Molecular Formula:
C23H25NO
Molecular Weight:
331.4507
IUPAC Name:
5,7-diphenyl-2,3,7,7a,8,9,10,11-octahydro-[1,3]oxazolo[2,3-j]quinoline
InChI:
InChI=1S/C23H25NO/c1-3-9-18(10-4-1)20-17-22(19-11-5-2-6-12-19)24-15-16-25-23(24)14-8-7-13-21(20)23/h1-6,9-12,17,20-21H,7-8,13-16H2
InChI Key:
IIWHIPPFNCKTOT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1C=C(c2ccccc2)N2C3(C1CCCC3)OCC2
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.194g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.459g/mol
Monoisotopic Mass:
331.194g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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