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Home > Other Heterocycles > 76335-71-2
76335-71-2 | 3-Azabicyclo[3.3.1]nonan-9-one, 1-methyl-2,4-diphenyl-
CAS No: 76335-71-2 Catalog No: AG0056DW MDL No:
Product Description
Catalog Number:
AG0056DW
Chemical Name:
3-Azabicyclo[3.3.1]nonan-9-one, 1-methyl-2,4-diphenyl-
CAS Number:
76335-71-2
Molecular Formula:
C21H23NO
Molecular Weight:
305.4134
IUPAC Name:
1-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C21H23NO/c1-21-14-8-13-17(20(21)23)18(15-9-4-2-5-10-15)22-19(21)16-11-6-3-7-12-16/h2-7,9-12,17-19,22H,8,13-14H2,1H3
InChI Key:
DHDHFCNPYMPTKV-UHFFFAOYSA-N
SMILES:
O=C1C2CCCC1(C)C(NC2c1ccccc1)c1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.421g/mol
Monoisotopic Mass:
305.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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