200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 887109-77-5
887109-77-5 | Ethanone,2-[2-(diphenylmethyl)-1-azabicyclo[2.2.2]oct-3-ylidene]-1-(2-methoxyphenyl)-
CAS No: 887109-77-5 Catalog No: AG00IFCD MDL No:
Product Description
Catalog Number:
AG00IFCD
Chemical Name:
Ethanone,2-[2-(diphenylmethyl)-1-azabicyclo[2.2.2]oct-3-ylidene]-1-(2-methoxyphenyl)-
CAS Number:
887109-77-5
Molecular Formula:
C29H29NO2
Molecular Weight:
423.5461
IUPAC Name:
(2E)-2-(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-ylidene)-1-(2-methoxyphenyl)ethanone
InChI:
InChI=1S/C29H29NO2/c1-32-27-15-9-8-14-24(27)26(31)20-25-21-16-18-30(19-17-21)29(25)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,20-21,28-29H,16-19H2,1H3/b25-20+
InChI Key:
XBBNZGWNCBWFDK-LKUDQCMESA-N
SMILES:
COc1ccccc1C(=O)/C=C/1\C2CCN(C1C(c1ccccc1)c1ccccc1)CC2
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
423.22g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.556g/mol
Monoisotopic Mass:
423.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Related Products
© 2019 Angene International Limited. All rights Reserved.