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Home > Other Heterocycles > 851322-34-4
851322-34-4 | 3,9-Diazaspiro[5.5]undecane, 3-benzoyl-9-[(2-ethoxyphenyl)methyl]-
CAS No: 851322-34-4 Catalog No: AG004XBQ MDL No:
Product Description
Catalog Number:
AG004XBQ
Chemical Name:
3,9-Diazaspiro[5.5]undecane, 3-benzoyl-9-[(2-ethoxyphenyl)methyl]-
CAS Number:
851322-34-4
Molecular Formula:
C25H32N2O2
Molecular Weight:
392.5338
IUPAC Name:
[9-[(2-ethoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone
InChI:
InChI=1S/C25H32N2O2/c1-2-29-23-11-7-6-10-22(23)20-26-16-12-25(13-17-26)14-18-27(19-15-25)24(28)21-8-4-3-5-9-21/h3-11H,2,12-20H2,1H3
InChI Key:
DWCREXGRNZDQEA-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccc1
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.246g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.543g/mol
Monoisotopic Mass:
392.246g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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