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3-amino-N-[(3,4-dichlorophenyl)methyl]-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3,4-dichlorophenyl)methyl]-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

CAS: 445267-48-1

Formula: C20H14Cl2N4OS

SMILES: NC1=C(SC2=NC(=CC=C12)C1=CC=NC=C1)C(=O)NCC1=CC(Cl)=C(Cl)C=C1

IUPAC: 3-amino-N-[(3,4-dichlorophenyl)methyl]-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

InChI: InChI=1S/C20H14Cl2N4OS/c21-14-3-1-11(9-15(14)22)10-25-19(27)18-17(23)13-2-4-16(26-20(13)28-18)12-5-7-24-8-6-12/h1-9H,10,23H2,(H,25,27)

Composition: C (55.95%), H (3.29%), Cl (16.51%), N (13.05%), O (3.73%), S (7.47%)

Molar Mass: 429.32

Atom Count: 42

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 428.0265377
Formal Charge 0
FSP3 0.05
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey WWZAOROUYXTXRP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.48
Topological Polar Surface Area 80.9
Polarizability 44.16
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 445267-48-1 $51.35-$86.31$51.35$63.37$86.31
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