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6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C17H16N4O3S

SMILES: COC1=CC=C(CC2=NN3C(S2)=NN=C3C2=C(C)OC=C2)C=C1OC

IUPAC: 6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C17H16N4O3S/c1-10-12(6-7-24-10)16-18-19-17-21(16)20-15(25-17)9-11-4-5-13(22-2)14(8-11)23-3/h4-8H,9H2,1-3H3

Composition: C (57.29%), H (4.53%), N (15.72%), O (13.47%), S (9.00%)

Molar Mass: 356.4

Atom Count: 41

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 356.094311565
Formal Charge 0
FSP3 0.24
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey HXOZNBSWMOWKLI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.68
Topological Polar Surface Area 74.68
Polarizability 35.58
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H16N4O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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