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N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetamide

N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetamide

CAS: 626221-53-2

Formula: C19H15ClF3N3OS

SMILES: FC(F)(F)C1=C(C#N)C(SCC(=O)NCC2=CC=C(Cl)C=C2)=NC2=C1CCC2

IUPAC: N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetamide

InChI: InChI=1S/C19H15ClF3N3OS/c20-12-6-4-11(5-7-12)9-25-16(27)10-28-18-14(8-24)17(19(21,22)23)13-2-1-3-15(13)26-18/h4-7H,1-3,9-10H2,(H,25,27)

Composition: C (53.59%), H (3.55%), Cl (8.32%), F (13.38%), N (9.87%), O (3.76%), S (7.53%)

Molar Mass: 425.85

Atom Count: 43

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 425.0576455
Formal Charge 0
FSP3 0.32
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NMLUQDOLXYBGGI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.49
Topological Polar Surface Area 65.78
Polarizability 38.31
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 626221-53-2 $51.35-$86.31$51.35$63.37$86.31
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