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87653-42-7 | Urea, N-[5-(6-oxo-3-phenyl-1(6H)-pyridazinyl)pentyl]-N'-propyl-
CAS No: 87653-42-7 Catalog No: AG004O1O MDL No:
Product Description
Catalog Number:
AG004O1O
Chemical Name:
Urea, N-[5-(6-oxo-3-phenyl-1(6H)-pyridazinyl)pentyl]-N'-propyl-
CAS Number:
87653-42-7
Molecular Formula:
C19H26N4O2
Molecular Weight:
342.4353
IUPAC Name:
1-[5-(6-oxo-3-phenylpyridazin-1-yl)pentyl]-3-propylurea
InChI:
InChI=1S/C19H26N4O2/c1-2-13-20-19(25)21-14-7-4-8-15-23-18(24)12-11-17(22-23)16-9-5-3-6-10-16/h3,5-6,9-12H,2,4,7-8,13-15H2,1H3,(H2,20,21,25)
InChI Key:
SSFXVLALJIZIAO-UHFFFAOYSA-N
SMILES:
CCCNC(=O)NCCCCCn1nc(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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