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3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

CAS: 2058813-53-7

Formula: C17H11ClF3N3O2S

SMILES: FC(F)(F)C1=CC(Cl)=C(OC2=C(SC=C2)C(=O)NCC2=NC=CC=C2)N=C1

IUPAC: 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-N-[(pyridin-2-yl)methyl]thiophene-2-carboxamide

InChI: InChI=1S/C17H11ClF3N3O2S/c18-12-7-10(17(19,20)21)8-24-16(12)26-13-4-6-27-14(13)15(25)23-9-11-3-1-2-5-22-11/h1-8H,9H2,(H,23,25)

Composition: C (49.34%), H (2.68%), Cl (8.57%), F (13.77%), N (10.15%), O (7.73%), S (7.75%)

Molar Mass: 413.8

Atom Count: 38

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 413.02126
Formal Charge 0
FSP3 0.12
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HEOCTEOQLYWPTQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.03
Topological Polar Surface Area 64.11
Polarizability 35.03
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 2058813-53-7 $51.35-$86.31$51.35$63.37$86.31
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