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Home > Nitro Compounds > 289631-42-1
289631-42-1 | Urea, N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-N'-(4-nitrophenyl)-
CAS No: 289631-42-1 Catalog No: AG002V0W MDL No:
Product Description
Catalog Number:
AG002V0W
Chemical Name:
Urea, N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-N'-(4-nitrophenyl)-
CAS Number:
289631-42-1
Molecular Formula:
C17H15N5O3
Molecular Weight:
337.3327
IUPAC Name:
1-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1-(4-nitrophenyl)urea
InChI:
InChI=1S/C17H15N5O3/c1-10-9-11(2)19-16-14(10)7-8-15(20-16)21(17(18)23)12-3-5-13(6-4-12)22(24)25/h3-9H,1-2H3,(H2,18,23)
InChI Key:
YUIPPBLJPARIER-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(n1)nc(cc2C)C)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.117g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.339g/mol
Monoisotopic Mass:
337.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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