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Home > Other Heterocycles > 40074-68-8
40074-68-8 | 8-benzyl-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CAS No: 40074-68-8 Catalog No: AG0075U2 MDL No:
Product Description
Catalog Number:
AG0075U2
Chemical Name:
8-benzyl-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CAS Number:
40074-68-8
Molecular Formula:
C26H41N3O2
Molecular Weight:
427.6226
IUPAC Name:
8-benzyl-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
InChI:
InChI=1S/C26H41N3O2/c1-6-7-8-9-10-14-17-28-22(30)26(27-23(28)31)19-24(2,3)29(25(4,5)20-26)18-21-15-12-11-13-16-21/h11-13,15-16H,6-10,14,17-20H2,1-5H3,(H,27,31)
InChI Key:
WBDYFYYVULBFHX-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1C(=O)NC2(C1=O)CC(C)(C)N(C(C2)(C)C)Cc1ccccc1
EC Number:
254-784-6
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.32g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.633g/mol
Monoisotopic Mass:
427.32g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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