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N-(2,5-dimethylphenyl)-3-[2-(thiophen-2-yl)acetohydrazido]but-2-enamide

N-(2,5-dimethylphenyl)-3-[2-(thiophen-2-yl)acetohydrazido]but-2-enamide

Formula: C18H21N3O2S

SMILES: CC(NNC(=O)CC1=CC=CS1)=CC(=O)NC1=CC(C)=CC=C1C

IUPAC: N-(2,5-dimethylphenyl)-3-[2-(thiophen-2-yl)acetohydrazido]but-2-enamide

InChI: InChI=1S/C18H21N3O2S/c1-12-6-7-13(2)16(9-12)19-17(22)10-14(3)20-21-18(23)11-15-5-4-8-24-15/h4-10,20H,11H2,1-3H3,(H,19,22)(H,21,23)

Composition: C (62.95%), H (6.16%), N (12.24%), O (9.32%), S (9.33%)

Molar Mass: 343.45

Atom Count: 45

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 343.135448102
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey QVGFDODAVGIVEO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.08
Topological Polar Surface Area 70.23
Polarizability 36.46
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H21N3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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