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87653-41-6 | Urea, N-ethyl-N'-[5-(6-oxo-3-phenyl-1(6H)-pyridazinyl)pentyl]-
CAS No: 87653-41-6 Catalog No: AG004KW3 MDL No:
Product Description
Catalog Number:
AG004KW3
Chemical Name:
Urea, N-ethyl-N'-[5-(6-oxo-3-phenyl-1(6H)-pyridazinyl)pentyl]-
CAS Number:
87653-41-6
Molecular Formula:
C18H24N4O2
Molecular Weight:
328.4088
IUPAC Name:
1-ethyl-3-[5-(6-oxo-3-phenylpyridazin-1-yl)pentyl]urea
InChI:
InChI=1S/C18H24N4O2/c1-2-19-18(24)20-13-7-4-8-14-22-17(23)12-11-16(21-22)15-9-5-3-6-10-15/h3,5-6,9-12H,2,4,7-8,13-14H2,1H3,(H2,19,20,24)
InChI Key:
ZWTDYUQIMOSUIN-UHFFFAOYSA-N
SMILES:
CCNC(=O)NCCCCCn1nc(ccc1=O)c1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.19g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.416g/mol
Monoisotopic Mass:
328.19g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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