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85750-34-1 | 2-Naphthalenecarboxamide,N-[2,4-dioxo-4-(phenylamino)butyl]-3-hydroxy-
CAS No: 85750-34-1 Catalog No: AG004Y9Z MDL No:
Product Description
Catalog Number:
AG004Y9Z
Chemical Name:
2-Naphthalenecarboxamide,N-[2,4-dioxo-4-(phenylamino)butyl]-3-hydroxy-
CAS Number:
85750-34-1
Molecular Formula:
C21H18N2O4
Molecular Weight:
362.3786
IUPAC Name:
N-(4-anilino-2,4-dioxobutyl)-3-hydroxynaphthalene-2-carboxamide
InChI:
InChI=1S/C21H18N2O4/c24-17(12-20(26)23-16-8-2-1-3-9-16)13-22-21(27)18-10-14-6-4-5-7-15(14)11-19(18)25/h1-11,25H,12-13H2,(H,22,27)(H,23,26)
InChI Key:
VVTRPYGBBSGKPZ-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)Nc1ccccc1)CNC(=O)c1cc2ccccc2cc1O
EC Number:
288-562-5
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.385g/mol
Monoisotopic Mass:
362.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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