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83399-83-1 | 2-Naphthalenecarboxamide,4-[2-[4-(benzoylamino)-2-methoxy-5-methylphenyl]diazenyl]-3-hydroxy-N-1-naphthalenyl-
CAS No: 83399-83-1 Catalog No: AG0054LB MDL No:
Product Description
Catalog Number:
AG0054LB
Chemical Name:
2-Naphthalenecarboxamide,4-[2-[4-(benzoylamino)-2-methoxy-5-methylphenyl]diazenyl]-3-hydroxy-N-1-naphthalenyl-
CAS Number:
83399-83-1
Molecular Formula:
C36H28N4O4
Molecular Weight:
580.6319
IUPAC Name:
4-[(4-benzamido-2-methoxy-5-methylphenyl)diazenyl]-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide
InChI:
InChI=1S/C36H28N4O4/c1-22-19-31(32(44-2)21-30(22)38-35(42)24-12-4-3-5-13-24)39-40-33-27-17-9-7-14-25(27)20-28(34(33)41)36(43)37-29-18-10-15-23-11-6-8-16-26(23)29/h3-21,41H,1-2H3,(H,37,43)(H,38,42)
InChI Key:
BKTJUYUJVULTRT-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)c2ccccc2)c(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc2c1cccc2)C
EC Number:
280-396-1
Properties
Complexity:
1000
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.211g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
580.644g/mol
Monoisotopic Mass:
580.211g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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