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6-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C18H14N4O3S

SMILES: COC1=CC=C(C=C1)C1=NN=C2SC(=NN12)C1COC2=C(O1)C=CC=C2

IUPAC: 6-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1/C18H14N4O3S/c1-23-12-8-6-11(7-9-12)16-19-20-18-22(16)21-17(26-18)15-10-24-13-4-2-3-5-14(13)25-15/h2-9,15H,10H2,1H3

Composition: C (59.01%), H (3.85%), N (15.29%), O (13.10%), S (8.75%)

Molar Mass: 366.4

Atom Count: 40

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 366.078661501
Formal Charge 0
FSP3 0.17
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey SZXZDANTZWPONJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 128.03
Topological Polar Surface Area 70.77
Polarizability 36.96
Ring Count 5
Rotatable Bond Count 3

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H14N4O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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