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87653-22-3 | Urea, N-methyl-N'-[4-(6-oxo-3-phenyl-1(6H)-pyridazinyl)butyl]-
CAS No: 87653-22-3 Catalog No: AG004HIO MDL No:
Product Description
Catalog Number:
AG004HIO
Chemical Name:
Urea, N-methyl-N'-[4-(6-oxo-3-phenyl-1(6H)-pyridazinyl)butyl]-
CAS Number:
87653-22-3
Molecular Formula:
C16H20N4O2
Molecular Weight:
300.3556
IUPAC Name:
1-methyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
InChI:
InChI=1S/C16H20N4O2/c1-17-16(22)18-11-5-6-12-20-15(21)10-9-14(19-20)13-7-3-2-4-8-13/h2-4,7-10H,5-6,11-12H2,1H3,(H2,17,18,22)
InChI Key:
KZZYOIXMCOVATD-UHFFFAOYSA-N
SMILES:
CNC(=O)NCCCCn1nc(ccc1=O)c1ccccc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.159g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.362g/mol
Monoisotopic Mass:
300.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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