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88421-27-6 | Urea, N-butyl-N'-[6-(6-oxo-3-phenyl-1(6H)-pyridazinyl)hexyl]-
CAS No: 88421-27-6 Catalog No: AG004EW7 MDL No:
Product Description
Catalog Number:
AG004EW7
Chemical Name:
Urea, N-butyl-N'-[6-(6-oxo-3-phenyl-1(6H)-pyridazinyl)hexyl]-
CAS Number:
88421-27-6
Molecular Formula:
C21H30N4O2
Molecular Weight:
370.4885
IUPAC Name:
1-butyl-3-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]urea
InChI:
InChI=1S/C21H30N4O2/c1-2-3-15-22-21(27)23-16-9-4-5-10-17-25-20(26)14-13-19(24-25)18-11-7-6-8-12-18/h6-8,11-14H,2-5,9-10,15-17H2,1H3,(H2,22,23,27)
InChI Key:
KJMHLGZJEBHFNB-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)NCCCCCCn1nc(ccc1=O)c1ccccc1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.237g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.497g/mol
Monoisotopic Mass:
370.237g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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