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88421-07-2 | Urea, N-ethyl-N'-[2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-
CAS No: 88421-07-2 Catalog No: AG004EWC MDL No:
Product Description
Catalog Number:
AG004EWC
Chemical Name:
Urea, N-ethyl-N'-[2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-
CAS Number:
88421-07-2
Molecular Formula:
C15H18N4O2
Molecular Weight:
286.3290
IUPAC Name:
1-ethyl-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea
InChI:
InChI=1S/C15H18N4O2/c1-2-16-15(21)17-10-11-19-14(20)9-8-13(18-19)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H2,16,17,21)
InChI Key:
AOBNDIQOTJSPSJ-UHFFFAOYSA-N
SMILES:
CCNC(=O)NCCn1nc(ccc1=O)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.335g/mol
Monoisotopic Mass:
286.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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