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204395-49-3 | 8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl-1,1,2,2,3,3,4,4-d8]- (9CI)
CAS No: 204395-49-3 Catalog No: AG0029GH MDL No:
Product Description
Catalog Number:
AG0029GH
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl-1,1,2,2,3,3,4,4-d8]- (9CI)
CAS Number:
204395-49-3
Molecular Formula:
C21H23D8N5O2
Molecular Weight:
393.5524
IUPAC Name:
8-[1,1,2,2,3,3,4,4-octadeuterio-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2/i3D2,4D2,10D2,11D2
InChI Key:
QWCRAEMEVRGPNT-QGZHXTQCSA-N
SMILES:
O=C1CC2(CCCC2)CC(=O)N1C(C(C(C(N1CCN(CC1)c1ncccn1)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H]
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.298g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
8
Molecular Weight:
393.561g/mol
Monoisotopic Mass:
393.298g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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