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N-(prop-2-yn-1-yl)-3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

N-(prop-2-yn-1-yl)-3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

CAS: 477854-02-7

Formula: C16H9F3N2OS2

SMILES: FC(F)(F)C1=CN=C2C(SC(C(=O)NCC#C)=C2C2=CC=CS2)=C1

IUPAC: N-(prop-2-yn-1-yl)-3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

InChI: InChI=1S/C16H9F3N2OS2/c1-2-5-20-15(22)14-12(10-4-3-6-23-10)13-11(24-14)7-9(8-21-13)16(17,18)19/h1,3-4,6-8H,5H2,(H,20,22)

Composition: C (52.45%), H (2.48%), F (15.56%), N (7.65%), O (4.37%), S (17.50%)

Molar Mass: 366.38

Atom Count: 33

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 366.010839755
Formal Charge 0
FSP3 0.12
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WYGJAZIQEOWJMY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.21
Topological Polar Surface Area 41.99
Polarizability 33.55
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477854-02-7 $51.35-$86.31$51.35$63.37$86.31
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