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89541-73-1 | Urea, N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-N'-(1,1-dimethylethyl)-
CAS No: 89541-73-1 Catalog No: AG003YOZ MDL No:
Product Description
Catalog Number:
AG003YOZ
Chemical Name:
Urea, N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-N'-(1,1-dimethylethyl)-
CAS Number:
89541-73-1
Molecular Formula:
C15H18N4O2
Molecular Weight:
286.3290
IUPAC Name:
1-tert-butyl-3-[4-(6-oxo-1H-pyrazin-3-yl)phenyl]urea
InChI:
InChI=1S/C15H18N4O2/c1-15(2,3)19-14(21)18-11-6-4-10(5-7-11)12-8-17-13(20)9-16-12/h4-9H,1-3H3,(H,17,20)(H2,18,19,21)
InChI Key:
MJKNAIAFDRDETL-UHFFFAOYSA-N
SMILES:
O=C(NC(C)(C)C)Nc1ccc(cc1)c1ncc(=O)[nH]c1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.335g/mol
Monoisotopic Mass:
286.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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