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87666-31-7 | Urea, [4-(6-oxo-3-phenyl-1(6H)-pyridazinyl)butyl]-
CAS No: 87666-31-7 Catalog No: AG004O0F MDL No:
Product Description
Catalog Number:
AG004O0F
Chemical Name:
Urea, [4-(6-oxo-3-phenyl-1(6H)-pyridazinyl)butyl]-
CAS Number:
87666-31-7
Molecular Formula:
C15H18N4O2
Molecular Weight:
286.3290
IUPAC Name:
4-(6-oxo-3-phenylpyridazin-1-yl)butylurea
InChI:
InChI=1S/C15H18N4O2/c16-15(21)17-10-4-5-11-19-14(20)9-8-13(18-19)12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2,(H3,16,17,21)
InChI Key:
QRZKNZLBFNUHOH-UHFFFAOYSA-N
SMILES:
NC(=O)NCCCCn1nc(ccc1=O)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.335g/mol
Monoisotopic Mass:
286.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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