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N-{4-[(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxy]phenyl}acetamide

N-{4-[(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxy]phenyl}acetamide

CAS: 478248-35-0

Formula: C20H15N3O3S

SMILES: CC(=O)NC1=CC=C(OC2=C(C#N)C(N)=C(S2)C(=O)C2=CC=CC=C2)C=C1

IUPAC: N-{4-[(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxy]phenyl}acetamide

InChI: InChI=1S/C20H15N3O3S/c1-12(24)23-14-7-9-15(10-8-14)26-20-16(11-21)17(22)19(27-20)18(25)13-5-3-2-4-6-13/h2-10H,22H2,1H3,(H,23,24)

Composition: C (63.65%), H (4.01%), N (11.13%), O (12.72%), S (8.49%)

Molar Mass: 377.42

Atom Count: 42

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 377.083412529
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FKFVNEMKVJISPX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.21
Topological Polar Surface Area 105.21
Polarizability 38.83
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 478248-35-0 $51.35-$86.31$51.35$63.37$86.31
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