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77439-72-6 | Urea,N,N'-bis[4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl]-
CAS No: 77439-72-6 Catalog No: AG005LLP MDL No:
Product Description
Catalog Number:
AG005LLP
Chemical Name:
Urea,N,N'-bis[4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl]-
CAS Number:
77439-72-6
Molecular Formula:
C21H36N6O5
Molecular Weight:
452.5477
IUPAC Name:
1,3-bis[4-(4-ethyl-2,3-dioxopiperazin-1-yl)butyl]urea
InChI:
InChI=1S/C21H36N6O5/c1-3-24-13-15-26(19(30)17(24)28)11-7-5-9-22-21(32)23-10-6-8-12-27-16-14-25(4-2)18(29)20(27)31/h3-16H2,1-2H3,(H2,22,23,32)
InChI Key:
TULFHXPGSKNDDQ-UHFFFAOYSA-N
SMILES:
CCN1CCN(C(=O)C1=O)CCCCNC(=O)NCCCCN1CCN(C(=O)C1=O)CC
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.275g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.556g/mol
Monoisotopic Mass:
452.275g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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