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N-(4-ethoxyphenyl)-6-methyl-2-[2-(4-methylpiperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(4-ethoxyphenyl)-6-methyl-2-[2-(4-methylpiperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C26H35N3O3S

SMILES: CCOC1=CC=C(NC(=O)C2=C(NC(=O)CN3CCC(C)CC3)SC3=C2CCC(C)C3)C=C1

IUPAC: N-(4-ethoxyphenyl)-6-methyl-2-[2-(4-methylpiperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C26H35N3O3S/c1-4-32-20-8-6-19(7-9-20)27-25(31)24-21-10-5-18(3)15-22(21)33-26(24)28-23(30)16-29-13-11-17(2)12-14-29/h6-9,17-18H,4-5,10-16H2,1-3H3,(H,27,31)(H,28,30)

Composition: C (66.49%), H (7.51%), N (8.95%), O (10.22%), S (6.83%)

Molar Mass: 469.64

Atom Count: 68

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 469.239913173
Formal Charge 0
FSP3 0.54
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HYBVIDCOUYCZQN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 136.02
Topological Polar Surface Area 70.67
Polarizability 51.02
Ring Count 4
Rotatable Bond Count 7

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H35N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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