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N-(2,4-dimethoxyphenyl)-2-{2-[(furan-2-ylmethyl)amino]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

N-(2,4-dimethoxyphenyl)-2-{2-[(furan-2-ylmethyl)amino]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

Formula: C23H25N3O5S

SMILES: COC1=CC=C(NC(=O)C2=C(NC(=O)CNCC3=CC=CO3)SC3=C2CCC3)C(OC)=C1

IUPAC: N-(2,4-dimethoxyphenyl)-2-(2-{[(furan-2-yl)methyl]amino}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

InChI: InChI=1S/C23H25N3O5S/c1-29-14-8-9-17(18(11-14)30-2)25-22(28)21-16-6-3-7-19(16)32-23(21)26-20(27)13-24-12-15-5-4-10-31-15/h4-5,8-11,24H,3,6-7,12-13H2,1-2H3,(H,25,28)(H,26,27)

Composition: C (60.64%), H (5.53%), N (9.22%), O (17.56%), S (7.04%)

Molar Mass: 455.53

Atom Count: 57

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 455.151492091
Formal Charge 0
FSP3 0.3
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey BIJQPMOXXWUEKD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 123.6
Topological Polar Surface Area 101.83
Polarizability 46.05
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H25N3O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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