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87653-44-9 | Urea, N-[5-(6-oxo-3-phenyl-1(6H)-pyridazinyl)pentyl]-N'-phenyl-
CAS No: 87653-44-9 Catalog No: AG004HIK MDL No:
Product Description
Catalog Number:
AG004HIK
Chemical Name:
Urea, N-[5-(6-oxo-3-phenyl-1(6H)-pyridazinyl)pentyl]-N'-phenyl-
CAS Number:
87653-44-9
Molecular Formula:
C22H24N4O2
Molecular Weight:
376.4516
IUPAC Name:
1-[5-(6-oxo-3-phenylpyridazin-1-yl)pentyl]-3-phenylurea
InChI:
InChI=1S/C22H24N4O2/c27-21-15-14-20(18-10-4-1-5-11-18)25-26(21)17-9-3-8-16-23-22(28)24-19-12-6-2-7-13-19/h1-2,4-7,10-15H,3,8-9,16-17H2,(H2,23,24,28)
InChI Key:
VSFJVDBNVAQRNI-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)NCCCCCn1nc(ccc1=O)c1ccccc1
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.19g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.46g/mol
Monoisotopic Mass:
376.19g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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