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88421-26-5 | Urea, N-(1-methylethyl)-N'-[6-(6-oxo-3-phenyl-1(6H)-pyridazinyl)hexyl]-
CAS No: 88421-26-5 Catalog No: AG004KGL MDL No:
Product Description
Catalog Number:
AG004KGL
Chemical Name:
Urea, N-(1-methylethyl)-N'-[6-(6-oxo-3-phenyl-1(6H)-pyridazinyl)hexyl]-
CAS Number:
88421-26-5
Molecular Formula:
C20H28N4O2
Molecular Weight:
356.4619
IUPAC Name:
1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propan-2-ylurea
InChI:
InChI=1S/C20H28N4O2/c1-16(2)22-20(26)21-14-8-3-4-9-15-24-19(25)13-12-18(23-24)17-10-6-5-7-11-17/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H2,21,22,26)
InChI Key:
CLTQHAYLXFOJJL-UHFFFAOYSA-N
SMILES:
CC(NC(=O)NCCCCCCn1nc(ccc1=O)c1ccccc1)C
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.221g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.47g/mol
Monoisotopic Mass:
356.221g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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