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N-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide

N-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide

Formula: C16H15N3O3S

SMILES: COC1=CC=CC=C1CCC1=NN=C(NC(=O)C2=CC=CO2)S1

IUPAC: N-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide

InChI: InChI=1S/C16H15N3O3S/c1-21-12-6-3-2-5-11(12)8-9-14-18-19-16(23-14)17-15(20)13-7-4-10-22-13/h2-7,10H,8-9H2,1H3,(H,17,19,20)

Composition: C (58.35%), H (4.59%), N (12.76%), O (14.57%), S (9.73%)

Molar Mass: 329.37

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 329.083412529
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey SDTOJZVLYIKMMS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.01
Topological Polar Surface Area 77.25
Polarizability 32.44
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H15N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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