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2-[(4-methylpyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(4-methylpyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

Formula: C14H12F3N3OS

SMILES: CC1=NC(SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)=NC=C1

IUPAC: 2-[(4-methylpyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

InChI: InChI=1S/C14H12F3N3OS/c1-9-5-6-18-13(19-9)22-8-12(21)20-11-4-2-3-10(7-11)14(15,16)17/h2-7H,8H2,1H3,(H,20,21)

Composition: C (51.37%), H (3.70%), F (17.41%), N (12.84%), O (4.89%), S (9.79%)

Molar Mass: 327.33

Atom Count: 34

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 327.065317681
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DIFCLHSPVMAVMV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.5
Topological Polar Surface Area 54.88
Polarizability 28.99
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H12F3N3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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