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S26284

CAT: 0931-T34477-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34477-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
296280-57-4
Target
Others
Related Pathways
Others
Bioactivity
S26284 is a bioactive chemical.
Smiles
O=C(NCCC1=CC=CC2=CC=C(OCCCCOC3=CC=C4C=CC=C(C4=C3)CCNC(=O)C)C=C21)C
Molecular Formula
C32H36N2O4
Molecular Weight
512.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide
CAS Number296280-57-4
PubChem CID9806449
IUPAC NameN-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide
Molecular FormulaC32H36N2O4
Molecular Weight512.6
XLogP5.9
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count38
Formal Charge0
Complexity670
SMILES
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCCOC3=CC4=C(C=CC=C4CCNC(=O)C)C=C3
InChI
InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
InChIKey
AGGOYESCDGTCOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide
CAS: 296280-57-4
CID: 9806449
Formula: C32H36N2O4
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass512.26750763
Monoisotopic Mass512.26750763
Topological Polar Surface Area76.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity670
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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