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2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-[(E)-{4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}methylidene]acetohydrazide

2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-[(E)-{4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}methylidene]acetohydrazide

Formula: C23H27N5O3S

SMILES: CC(C)C1=CC=C(C)C=C1OCCOC1=CC=C(C=NNC(=O)CC2=NN=C(N)S2)C=C1

IUPAC: 2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-[(E)-(4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)methylidene]acetohydrazide

InChI: InChI=1S/C23H27N5O3S/c1-15(2)19-9-4-16(3)12-20(19)31-11-10-30-18-7-5-17(6-8-18)14-25-26-21(29)13-22-27-28-23(24)32-22/h4-9,12,14-15H,10-11,13H2,1-3H3,(H2,24,28)(H,26,29)/b25-14+

Composition: C (60.91%), H (6.00%), N (15.44%), O (10.58%), S (7.07%)

Molar Mass: 453.56

Atom Count: 59

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 453.183460923
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey HEVHPPKKPUAPAJ-AFUMVMLFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 127.52
Topological Polar Surface Area 111.72
Polarizability 47.28
Ring Count 3
Rotatable Bond Count 10

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H27N5O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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