200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 92586-89-5
92586-89-5 | 3-Azabicyclo[3.3.1]nonane-3-carbonitrile, 9-oxo-2,4-diphenyl-
CAS No: 92586-89-5 Catalog No: AG0063VX MDL No:
Product Description
Catalog Number:
AG0063VX
Chemical Name:
3-Azabicyclo[3.3.1]nonane-3-carbonitrile, 9-oxo-2,4-diphenyl-
CAS Number:
92586-89-5
Molecular Formula:
C21H20N2O
Molecular Weight:
316.3963
IUPAC Name:
9-oxo-2,4-diphenyl-3-azabicyclo[3.3.1]nonane-3-carbonitrile
InChI:
InChI=1S/C21H20N2O/c22-14-23-19(15-8-3-1-4-9-15)17-12-7-13-18(21(17)24)20(23)16-10-5-2-6-11-16/h1-6,8-11,17-20H,7,12-13H2
InChI Key:
PDIGTHXVBHUURV-UHFFFAOYSA-N
SMILES:
N#CN1C(c2ccccc2)C2CCCC(C1c1ccccc1)C2=O
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.404g/mol
Monoisotopic Mass:
316.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
© 2019 Angene International Limited. All rights Reserved.