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89541-72-0 | Urea, N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-N'-ethyl-
CAS No: 89541-72-0 Catalog No: AG0040HU MDL No:
Product Description
Catalog Number:
AG0040HU
Chemical Name:
Urea, N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-N'-ethyl-
CAS Number:
89541-72-0
Molecular Formula:
C13H14N4O2
Molecular Weight:
258.2759
IUPAC Name:
1-ethyl-3-[4-(6-oxo-1H-pyrazin-3-yl)phenyl]urea
InChI:
InChI=1S/C13H14N4O2/c1-2-14-13(19)17-10-5-3-9(4-6-10)11-7-16-12(18)8-15-11/h3-8H,2H2,1H3,(H,16,18)(H2,14,17,19)
InChI Key:
VNMJRUKJZJUYFQ-UHFFFAOYSA-N
SMILES:
CCNC(=O)Nc1ccc(cc1)c1ncc(=O)[nH]c1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.281g/mol
Monoisotopic Mass:
258.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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