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Home > Other Heterocycles > 477768-10-8
477768-10-8 | 9-benzyl-1,6-diphenyl-9-azadispiro[2.1.2^{5}.3^{3}]decan-4-one
CAS No: 477768-10-8 Catalog No: AG00IOJ5 MDL No:MFCD02570869
Product Description
Catalog Number:
AG00IOJ5
Chemical Name:
9-benzyl-1,6-diphenyl-9-azadispiro[2.1.2^{5}.3^{3}]decan-4-one
CAS Number:
477768-10-8
Molecular Formula:
C28H27NO
Molecular Weight:
393.5201
MDL Number:
MFCD02570869
IUPAC Name:
9-benzyl-2,6-diphenyl-9-azadispiro[2.1.25.33]decan-4-one
InChI:
InChI=1S/C28H27NO/c30-26-27(16-24(27)22-12-6-2-7-13-22)19-29(18-21-10-4-1-5-11-21)20-28(26)17-25(28)23-14-8-3-9-15-23/h1-15,24-25H,16-20H2
InChI Key:
MXOGLMLNAHOAEG-UHFFFAOYSA-N
SMILES:
O=C1C2(CN(CC31CC3c1ccccc1)Cc1ccccc1)CC2c1ccccc1
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.209g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.53g/mol
Monoisotopic Mass:
393.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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