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2972-58-9 | 2-Naphthalenecarboxamide, 4-[2-[4-(aminocarbonyl)phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)-
CAS No: 2972-58-9 Catalog No: AG002Z7S MDL No:
Product Description
Catalog Number:
AG002Z7S
Chemical Name:
2-Naphthalenecarboxamide, 4-[2-[4-(aminocarbonyl)phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)-
CAS Number:
2972-58-9
Molecular Formula:
C25H20N4O3
Molecular Weight:
424.4513
IUPAC Name:
4-[(4-carbamoylphenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
InChI:
InChI=1S/C25H20N4O3/c1-15-6-2-5-9-21(15)27-25(32)20-14-17-7-3-4-8-19(17)22(23(20)30)29-28-18-12-10-16(11-13-18)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)
InChI Key:
HDMHBRVDJGULBL-UHFFFAOYSA-N
SMILES:
O=C(c1cc2ccccc2c(c1O)N=Nc1ccc(cc1)C(=O)N)Nc1ccccc1C
EC Number:
221-010-3
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.154g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
424.46g/mol
Monoisotopic Mass:
424.154g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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