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ethyl 3-({[(benzyloxy)amino]methylidene}amino)-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxylate

ethyl 3-({[(benzyloxy)amino]methylidene}amino)-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxylate

CAS: 341967-23-5

Formula: C20H22N4O3S

SMILES: CCOC(=O)C1=C(N=CNOCC2=CC=CC=C2)C2=C(C=CN=C2S1)N(C)C

IUPAC: ethyl 3-({[(benzyloxy)amino]methylidene}amino)-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxylate

InChI: InChI=1S/C20H22N4O3S/c1-4-26-20(25)18-17(16-15(24(2)3)10-11-21-19(16)28-18)22-13-23-27-12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3,(H,22,23)

Composition: C (60.28%), H (5.57%), N (14.06%), O (12.04%), S (8.05%)

Molar Mass: 398.48

Atom Count: 50

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 398.141261758
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey LLBPKAIWBYHSTJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.32
Topological Polar Surface Area 76.05
Polarizability 41.87
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 341967-23-5 $51.35-$86.31$51.35$63.37$86.31
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