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87653-49-4 | Urea, [6-(6-oxo-3-phenyl-1(6H)-pyridazinyl)hexyl]-
CAS No: 87653-49-4 Catalog No: AG004HIJ MDL No:
Product Description
Catalog Number:
AG004HIJ
Chemical Name:
Urea, [6-(6-oxo-3-phenyl-1(6H)-pyridazinyl)hexyl]-
CAS Number:
87653-49-4
Molecular Formula:
C17H22N4O2
Molecular Weight:
314.3822
IUPAC Name:
6-(6-oxo-3-phenylpyridazin-1-yl)hexylurea
InChI:
InChI=1S/C17H22N4O2/c18-17(23)19-12-6-1-2-7-13-21-16(22)11-10-15(20-21)14-8-4-3-5-9-14/h3-5,8-11H,1-2,6-7,12-13H2,(H3,18,19,23)
InChI Key:
YHRZYULELGGJFY-UHFFFAOYSA-N
SMILES:
NC(=O)NCCCCCCn1nc(ccc1=O)c1ccccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.389g/mol
Monoisotopic Mass:
314.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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