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N-phenyl-2-{[3-(trifluoromethyl)quinoxalin-2-yl]sulfanyl}acetamide

N-phenyl-2-{[3-(trifluoromethyl)quinoxalin-2-yl]sulfanyl}acetamide

CAS: 321433-75-4

Formula: C17H12F3N3OS

SMILES: FC(F)(F)C1=NC2=CC=CC=C2N=C1SCC(=O)NC1=CC=CC=C1

IUPAC: N-phenyl-2-{[3-(trifluoromethyl)quinoxalin-2-yl]sulfanyl}acetamide

InChI: InChI=1S/C17H12F3N3OS/c18-17(19,20)15-16(23-13-9-5-4-8-12(13)22-15)25-10-14(24)21-11-6-2-1-3-7-11/h1-9H,10H2,(H,21,24)

Composition: C (56.19%), H (3.33%), F (15.69%), N (11.56%), O (4.40%), S (8.82%)

Molar Mass: 363.36

Atom Count: 37

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 363.065317681
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XWCZAKNZMPNPBL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.63
Topological Polar Surface Area 54.88
Polarizability 34.59
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 321433-75-4 $51.35-$86.31$51.35$63.37$86.31
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