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N-(2,4-dimethoxyphenyl)-2-[(E)-[(4-fluorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(2,4-dimethoxyphenyl)-2-[(E)-[(4-fluorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C24H23FN2O3S

SMILES: COC1=CC=C(NC(=O)C2=C(SC3=C2CCCC3)N=CC2=CC=C(F)C=C2)C(OC)=C1

IUPAC: N-(2,4-dimethoxyphenyl)-2-[(E)-[(4-fluorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1S/C24H23FN2O3S/c1-29-17-11-12-19(20(13-17)30-2)27-23(28)22-18-5-3-4-6-21(18)31-24(22)26-14-15-7-9-16(25)10-8-15/h7-14H,3-6H2,1-2H3,(H,27,28)/b26-14+

Composition: C (65.74%), H (5.29%), F (4.33%), N (6.39%), O (10.95%), S (7.31%)

Molar Mass: 438.52

Atom Count: 54

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 438.141341946
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KZHDBPLBMFTQDT-VULFUBBASA-N
Lipinski's Rule of Five
Molar Refractivity 123.75
Topological Polar Surface Area 59.92
Polarizability 44.94
Ring Count 4
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H23FN2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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