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85098-78-8 | 1,3,8-Triazaspiro[4.5]decan-4-one,1-(4-fluorophenyl)-8-(phenylmethyl)-
CAS No: 85098-78-8 Catalog No: AG004OJN MDL No:
Product Description
Catalog Number:
AG004OJN
Chemical Name:
1,3,8-Triazaspiro[4.5]decan-4-one,1-(4-fluorophenyl)-8-(phenylmethyl)-
CAS Number:
85098-78-8
Molecular Formula:
C20H22FN3O
Molecular Weight:
339.4066
IUPAC Name:
8-benzyl-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C20H22FN3O/c21-17-6-8-18(9-7-17)24-15-22-19(25)20(24)10-12-23(13-11-20)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,25)
InChI Key:
DQJJXRJZSBSZIX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1CNC(=O)C21CCN(CC2)Cc1ccccc1
EC Number:
285-430-9
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.175g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.414g/mol
Monoisotopic Mass:
339.175g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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