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88421-13-0 | Urea, N,N-diethyl-N'-[2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-
CAS No: 88421-13-0 Catalog No: AG004EWA MDL No:
Product Description
Catalog Number:
AG004EWA
Chemical Name:
Urea, N,N-diethyl-N'-[2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-
CAS Number:
88421-13-0
Molecular Formula:
C17H22N4O2
Molecular Weight:
314.3822
IUPAC Name:
1,1-diethyl-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea
InChI:
InChI=1S/C17H22N4O2/c1-3-20(4-2)17(23)18-12-13-21-16(22)11-10-15(19-21)14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,18,23)
InChI Key:
QCJMWQGWCBZSRL-UHFFFAOYSA-N
SMILES:
CCN(C(=O)NCCn1nc(ccc1=O)c1ccccc1)CC
Properties
Complexity:
477
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:
1
Isotope Atom Count:
0
Molecular Weight:
314.389g/mol
Monoisotopic Mass:
314.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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