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5-benzyl-2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxamide

5-benzyl-2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxamide

Formula: C23H22N2O3S

SMILES: COC1=CC=C(C=CC(=O)NC2=C(C(N)=O)C(C)=C(CC3=CC=CC=C3)S2)C=C1

IUPAC: 5-benzyl-2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxamide

InChI: InChI=1S/C23H22N2O3S/c1-15-19(14-17-6-4-3-5-7-17)29-23(21(15)22(24)27)25-20(26)13-10-16-8-11-18(28-2)12-9-16/h3-13H,14H2,1-2H3,(H2,24,27)(H,25,26)/b13-10+

Composition: C (67.96%), H (5.46%), N (6.89%), O (11.81%), S (7.89%)

Molar Mass: 406.5

Atom Count: 51

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 406.13511375
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QXHWZXISQQNHLI-JLHYYAGUSA-N
Lipinski's Rule of Five
Molar Refractivity 117.86
Topological Polar Surface Area 81.42
Polarizability 43.53
Ring Count 3
Rotatable Bond Count 7

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OTAVA LTD.
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Purity LeadTime Formula PacketSize UnitPrice
95% <10 Days C23H22N2O3S $162.27$162.27
MFCD03193303
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Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H22N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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