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N-(5-chloro-2-methoxyphenyl)-2-{2-[(2-phenylethyl)amino]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-{2-[(2-phenylethyl)amino]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

Formula: C25H26ClN3O3S

SMILES: COC1=CC=C(Cl)C=C1NC(=O)C1=C(NC(=O)CNCCC2=CC=CC=C2)SC2=C1CCC2

IUPAC: N-(5-chloro-2-methoxyphenyl)-2-{2-[(2-phenylethyl)amino]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

InChI: InChI=1S/C25H26ClN3O3S/c1-32-20-11-10-17(26)14-19(20)28-24(31)23-18-8-5-9-21(18)33-25(23)29-22(30)15-27-13-12-16-6-3-2-4-7-16/h2-4,6-7,10-11,14,27H,5,8-9,12-13,15H2,1H3,(H,28,31)(H,29,30)

Composition: C (62.04%), H (5.41%), Cl (7.32%), N (8.68%), O (9.92%), S (6.62%)

Molar Mass: 484.01

Atom Count: 59

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 483.1383406
Formal Charge 0
FSP3 0.28
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey IWLHOZWZHFAXJZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 134.31
Topological Polar Surface Area 79.46
Polarizability 50.25
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H26ClN3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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