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AGN 205327 10mg

CAT: 0628-A16295-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A16295-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2070018-29-8

Chemical Information

2-[(E)-N-hydroxy-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-1H-indole-5-carboxylic acid
CAS Number2070018-29-8
PubChem CID136284950
IUPAC Name2-[(E)-N-hydroxy-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-1H-indole-5-carboxylic acid
Molecular FormulaC24H26N2O3
Molecular Weight390.5
XLogP6.6
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity671
SMILES
CC1(CCC(C2=C1C=CC(=C2)/C(=N\O)/C3=CC4=C(N3)C=CC(=C4)C(=O)O)(C)C)C
InChI
InChI=1S/C24H26N2O3/c1-23(2)9-10-24(3,4)18-12-14(5-7-17(18)23)21(26-29)20-13-16-11-15(22(27)28)6-8-19(16)25-20/h5-8,11-13,25,29H,9-10H2,1-4H3,(H,27,28)/b26-21+
InChIKey
CTYNDNYSDMIEPV-YYADALCUSA-N
Chemical Structure
2D Structure
2D structure of 2-[(E)-N-hydroxy-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-1H-indole-5-carboxylic acid
CAS: 2070018-29-8
CID: 136284950
Formula: C24H26N2O3
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP36.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass390.19434270
Monoisotopic Mass390.19434270
Topological Polar Surface Area85.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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