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Home > Other Heterocycles > 101607-42-5
101607-42-5 | 2,8-Diazaspiro[4.5]decane-1,3-dione, 2-(hexahydro-1H-azepin-1-yl)-8-(4-oxo-4-phenylbutyl)-
CAS No: 101607-42-5 Catalog No: AG0004YH MDL No:
Product Description
Catalog Number:
AG0004YH
Chemical Name:
2,8-Diazaspiro[4.5]decane-1,3-dione, 2-(hexahydro-1H-azepin-1-yl)-8-(4-oxo-4-phenylbutyl)-
CAS Number:
101607-42-5
Molecular Formula:
C24H33N3O3
Molecular Weight:
411.5371
IUPAC Name:
2-(azepan-1-yl)-8-(4-oxo-4-phenylbutyl)-2,8-diazaspiro[4.5]decane-1,3-dione
InChI:
InChI=1S/C24H33N3O3/c28-21(20-9-4-3-5-10-20)11-8-14-25-17-12-24(13-18-25)19-22(29)27(23(24)30)26-15-6-1-2-7-16-26/h3-5,9-10H,1-2,6-8,11-19H2
InChI Key:
PKVGWESEWCDZAN-UHFFFAOYSA-N
SMILES:
O=C1CC2(C(=O)N1N1CCCCCC1)CCN(CC2)CCCC(=O)c1ccccc1
NSC Number:
665776
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.252g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.546g/mol
Monoisotopic Mass:
411.252g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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