200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 68392-66-5
68392-66-5 | (9-ethynyl-9-hydroxy-6,8-diphenyl-7-azabicyclo[3.3.1]non-7-yl)-phenyl-methanone
CAS No: 68392-66-5 Catalog No: AG00640E MDL No:
Product Description
Catalog Number:
AG00640E
Chemical Name:
(9-ethynyl-9-hydroxy-6,8-diphenyl-7-azabicyclo[3.3.1]non-7-yl)-phenyl-methanone
CAS Number:
68392-66-5
Molecular Formula:
C29H27NO2
Molecular Weight:
421.5302
IUPAC Name:
(9-ethynyl-9-hydroxy-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
InChI:
InChI=1S/C29H27NO2/c1-2-29(32)24-19-12-20-25(29)27(22-15-8-4-9-16-22)30(26(24)21-13-6-3-7-14-21)28(31)23-17-10-5-11-18-23/h1,3-11,13-18,24-27,32H,12,19-20H2
InChI Key:
SBDCSSFKGJMKST-UHFFFAOYSA-N
SMILES:
C#CC1(O)C2CCCC1C(N(C2c1ccccc1)C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.204g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.54g/mol
Monoisotopic Mass:
421.204g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Related Products
© 2019 Angene International Limited. All rights Reserved.