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87653-54-1 | Urea, N-methyl-N'-[7-(6-oxo-3-phenyl-1(6H)-pyridazinyl)heptyl]-
CAS No: 87653-54-1 Catalog No: AG004O1J MDL No:
Product Description
Catalog Number:
AG004O1J
Chemical Name:
Urea, N-methyl-N'-[7-(6-oxo-3-phenyl-1(6H)-pyridazinyl)heptyl]-
CAS Number:
87653-54-1
Molecular Formula:
C19H26N4O2
Molecular Weight:
342.4353
IUPAC Name:
1-methyl-3-[7-(6-oxo-3-phenylpyridazin-1-yl)heptyl]urea
InChI:
InChI=1S/C19H26N4O2/c1-20-19(25)21-14-8-3-2-4-9-15-23-18(24)13-12-17(22-23)16-10-6-5-7-11-16/h5-7,10-13H,2-4,8-9,14-15H2,1H3,(H2,20,21,25)
InChI Key:
RQTVONXFCQVHPL-UHFFFAOYSA-N
SMILES:
CNC(=O)NCCCCCCCn1nc(ccc1=O)c1ccccc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.206g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.443g/mol
Monoisotopic Mass:
342.206g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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