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81547-29-7 | Spiro(1-azabicyclo(2.2.2)octane-3,4-imidazolidine)-2,5-dione, 1-((phenyl(phenylmethyl)amino)methyl)-
CAS No: 81547-29-7 Catalog No: AG005JUD MDL No:
Product Description
Catalog Number:
AG005JUD
Chemical Name:
Spiro(1-azabicyclo(2.2.2)octane-3,4-imidazolidine)-2,5-dione, 1-((phenyl(phenylmethyl)amino)methyl)-
CAS Number:
81547-29-7
Molecular Formula:
C23H26N4O2
Molecular Weight:
390.4781
IUPAC Name:
3'-[(N-benzylanilino)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
InChI:
InChI=1S/C23H26N4O2/c28-21-23(16-25-13-11-19(23)12-14-25)24-22(29)27(21)17-26(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-10,19H,11-17H2,(H,24,29)
InChI Key:
CHPHBKYGPSWUQY-UHFFFAOYSA-N
SMILES:
O=C1NC2(C(=O)N1CN(c1ccccc1)Cc1ccccc1)CN1CCC2CC1
NSC Number:
363935
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.206g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.487g/mol
Monoisotopic Mass:
390.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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