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87653-40-5 | Urea, N-methyl-N'-[5-(6-oxo-3-phenyl-1(6H)-pyridazinyl)pentyl]-
CAS No: 87653-40-5 Catalog No: AG004O1P MDL No:
Product Description
Catalog Number:
AG004O1P
Chemical Name:
Urea, N-methyl-N'-[5-(6-oxo-3-phenyl-1(6H)-pyridazinyl)pentyl]-
CAS Number:
87653-40-5
Molecular Formula:
C17H22N4O2
Molecular Weight:
314.3822
IUPAC Name:
1-methyl-3-[5-(6-oxo-3-phenylpyridazin-1-yl)pentyl]urea
InChI:
InChI=1S/C17H22N4O2/c1-18-17(23)19-12-6-3-7-13-21-16(22)11-10-15(20-21)14-8-4-2-5-9-14/h2,4-5,8-11H,3,6-7,12-13H2,1H3,(H2,18,19,23)
InChI Key:
SNHUUEGHSAQBGS-UHFFFAOYSA-N
SMILES:
CNC(=O)NCCCCCn1nc(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:
7
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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