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87666-25-9 | Urea, N-methyl-N'-[2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-
CAS No: 87666-25-9 Catalog No: AG004O0I MDL No:
Product Description
Catalog Number:
AG004O0I
Chemical Name:
Urea, N-methyl-N'-[2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-
CAS Number:
87666-25-9
Molecular Formula:
C14H16N4O2
Molecular Weight:
272.3024
IUPAC Name:
1-methyl-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea
InChI:
InChI=1S/C14H16N4O2/c1-15-14(20)16-9-10-18-13(19)8-7-12(17-18)11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H2,15,16,20)
InChI Key:
GKTUOINRUVRYRO-UHFFFAOYSA-N
SMILES:
CNC(=O)NCCn1nc(ccc1=O)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.308g/mol
Monoisotopic Mass:
272.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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