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159872-32-9 | 10-Undecen-1-one, 1-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-
CAS No: 159872-32-9 Catalog No: AG001RGS MDL No:
Product Description
Catalog Number:
AG001RGS
Chemical Name:
10-Undecen-1-one, 1-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-
CAS Number:
159872-32-9
Molecular Formula:
C27H44N6O
Molecular Weight:
468.6779
IUPAC Name:
1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]undec-10-en-1-one
InChI:
InChI=1S/C27H44N6O/c1-2-3-4-5-6-7-8-9-14-26(34)32-21-19-31(20-22-32)25-23-24(30-15-10-11-16-30)28-27(29-25)33-17-12-13-18-33/h2,23H,1,3-22H2
InChI Key:
XVMLRAGUNKMVBU-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCC(=O)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.358g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.69g/mol
Monoisotopic Mass:
468.358g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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