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Home > Other Heterocycles > 141921-91-7

141921-91-7

141921-91-7 | 2-Azaspiro[3.5]nonan-1-one, 3-phenyl-2-(phenylmethyl)-

CAS No: 141921-91-7 Catalog No: AG001HEI MDL No:

Product Description

Catalog Number:
AG001HEI
Chemical Name:
2-Azaspiro[3.5]nonan-1-one, 3-phenyl-2-(phenylmethyl)-
CAS Number:
141921-91-7
Molecular Formula:
C21H23NO
Molecular Weight:
305.4134
IUPAC Name:
2-benzyl-1-phenyl-2-azaspiro[3.5]nonan-3-one
InChI:
InChI=1S/C21H23NO/c23-20-21(14-8-3-9-15-21)19(18-12-6-2-7-13-18)22(20)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19H,3,8-9,14-16H2
InChI Key:
JOODOXQLEQXCAU-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)C(C21CCCCC2)c1ccccc1

Properties

Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.178g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.421g/mol
Monoisotopic Mass:
305.178g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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