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87653-19-8 | Urea, N,N-diethyl-N'-[3-(6-oxo-3-phenyl-1(6H)-pyridazinyl)propyl]-
CAS No: 87653-19-8 Catalog No: AG004HIP MDL No:
Product Description
Catalog Number:
AG004HIP
Chemical Name:
Urea, N,N-diethyl-N'-[3-(6-oxo-3-phenyl-1(6H)-pyridazinyl)propyl]-
CAS Number:
87653-19-8
Molecular Formula:
C18H24N4O2
Molecular Weight:
328.4088
IUPAC Name:
1,1-diethyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
InChI:
InChI=1S/C18H24N4O2/c1-3-21(4-2)18(24)19-13-8-14-22-17(23)12-11-16(20-22)15-9-6-5-7-10-15/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,19,24)
InChI Key:
ZOOQNKMFSLSUMF-UHFFFAOYSA-N
SMILES:
CCN(C(=O)NCCCn1nc(ccc1=O)c1ccccc1)CC
Properties
Complexity:
491
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:
1
Isotope Atom Count:
0
Molecular Weight:
328.416g/mol
Monoisotopic Mass:
328.19g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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