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89541-77-5 | Urea, N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-N'-(2-hydroxyethyl)-
CAS No: 89541-77-5 Catalog No: AG00401U MDL No:
Product Description
Catalog Number:
AG00401U
Chemical Name:
Urea, N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-N'-(2-hydroxyethyl)-
CAS Number:
89541-77-5
Molecular Formula:
C13H14N4O3
Molecular Weight:
274.2753
IUPAC Name:
1-(2-hydroxyethyl)-3-[4-(6-oxo-1H-pyrazin-3-yl)phenyl]urea
InChI:
InChI=1S/C13H14N4O3/c18-6-5-14-13(20)17-10-3-1-9(2-4-10)11-7-16-12(19)8-15-11/h1-4,7-8,18H,5-6H2,(H,16,19)(H2,14,17,20)
InChI Key:
FUCIPHMYTOLGOP-UHFFFAOYSA-N
SMILES:
OCCNC(=O)Nc1ccc(cc1)c1ncc(=O)[nH]c1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.28g/mol
Monoisotopic Mass:
274.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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