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Home > Other Heterocycles > 88258-84-8
88258-84-8 | 1,3,7-Triazaspiro[4.5]dec-2-en-4-one, 1-phenyl-7-(phenylmethyl)-
CAS No: 88258-84-8 Catalog No: AG004APQ MDL No:
Product Description
Catalog Number:
AG004APQ
Chemical Name:
1,3,7-Triazaspiro[4.5]dec-2-en-4-one, 1-phenyl-7-(phenylmethyl)-
CAS Number:
88258-84-8
Molecular Formula:
C20H21N3O
Molecular Weight:
319.4002
IUPAC Name:
9-benzyl-1-phenyl-1,3,9-triazaspiro[4.5]dec-2-en-4-one
InChI:
InChI=1S/C20H21N3O/c24-19-20(23(16-21-19)18-10-5-2-6-11-18)12-7-13-22(15-20)14-17-8-3-1-4-9-17/h1-6,8-11,16H,7,12-15H2
InChI Key:
SGTGBZAGDIYWDC-UHFFFAOYSA-N
SMILES:
O=C1N=CN(C21CCCN(C2)Cc1ccccc1)c1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.408g/mol
Monoisotopic Mass:
319.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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