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13753-72-5 | 2-Naphthalenecarboxamide, 3-hydroxy-4-[2-[4-[(hydroxyimino)methyl]phenyl]diazenyl]-N-(4-methoxyphenyl)-
CAS No: 13753-72-5 Catalog No: AG0013HX MDL No:
Product Description
Catalog Number:
AG0013HX
Chemical Name:
2-Naphthalenecarboxamide, 3-hydroxy-4-[2-[4-[(hydroxyimino)methyl]phenyl]diazenyl]-N-(4-methoxyphenyl)-
CAS Number:
13753-72-5
Molecular Formula:
C25H20N4O4
Molecular Weight:
440.4507
IUPAC Name:
3-hydroxy-4-[[4-(hydroxyiminomethyl)phenyl]diazenyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide
InChI:
InChI=1S/C25H20N4O4/c1-33-20-12-10-18(11-13-20)27-25(31)22-14-17-4-2-3-5-21(17)23(24(22)30)29-28-19-8-6-16(7-9-19)15-26-32/h2-15,30,32H,1H3,(H,27,31)
InChI Key:
KHSLVOXXCDXGFS-UHFFFAOYSA-N
SMILES:
ON=Cc1ccc(cc1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc(cc1)OC
EC Number:
237-338-5
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.148g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
440.459g/mol
Monoisotopic Mass:
440.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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