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88421-15-2 | Urea, N-(1-methylethyl)-N'-[3-(6-oxo-3-phenyl-1(6H)-pyridazinyl)propyl]-
CAS No: 88421-15-2 Catalog No: AG004HU3 MDL No:
Product Description
Catalog Number:
AG004HU3
Chemical Name:
Urea, N-(1-methylethyl)-N'-[3-(6-oxo-3-phenyl-1(6H)-pyridazinyl)propyl]-
CAS Number:
88421-15-2
Molecular Formula:
C17H22N4O2
Molecular Weight:
314.3822
IUPAC Name:
1-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]-3-propan-2-ylurea
InChI:
InChI=1S/C17H22N4O2/c1-13(2)19-17(23)18-11-6-12-21-16(22)10-9-15(20-21)14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,18,19,23)
InChI Key:
BGJLXWPASJBKFD-UHFFFAOYSA-N
SMILES:
CC(NC(=O)NCCCn1nc(ccc1=O)c1ccccc1)C
Properties
Complexity:
479
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:
2
Isotope Atom Count:
0
Molecular Weight:
314.389g/mol
Monoisotopic Mass:
314.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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