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FEMA-4809

CAT: 0127-BUP15199-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15199-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1374760-95-8
Synonyms
FEMA4809, FEMA 4809
Purity
=98%
Smiles
Cc1ccc(OCC(=O)N(Cc2cccs2)c2cc[nH]n2)cc1

Chemical Information

2-(4-Methylphenoxy)-N-(1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide

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CAS Number1374760-95-8
PubChem CID67516108
IUPAC Name2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
Molecular FormulaC17H17N3O2S
Molecular Weight327.4
XLogP3.2
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity388
SMILES
CC1=CC=C(C=C1)OCC(=O)N(CC2=CC=CS2)C3=CC=NN3
InChI
InChI=1S/C17H17N3O2S/c1-13-4-6-14(7-5-13)22-12-17(21)20(16-8-9-18-19-16)11-15-3-2-10-23-15/h2-10H,11-12H2,1H3,(H,18,19)
InChIKey
QGDQESUNCJQMSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Methylphenoxy)-N-(1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CAS: 1374760-95-8
CID: 67516108
Formula: C17H17N3O2S
MW: 327.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass327.10414797
Monoisotopic Mass327.10414797
Topological Polar Surface Area86.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity388
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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