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

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

Formula: C24H30ClN3O3S

SMILES: COC1=CC=C(Cl)C=C1NC(=O)C1=C(NC(=O)CN2CCCCC2C)SC2=C1CCCC2

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

InChI: InChI=1/C24H30ClN3O3S/c1-15-7-5-6-12-28(15)14-21(29)27-24-22(17-8-3-4-9-20(17)32-24)23(30)26-18-13-16(25)10-11-19(18)31-2/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,26,30)(H,27,29)

Composition: C (60.56%), H (6.35%), Cl (7.45%), N (8.83%), O (10.08%), S (6.73%)

Molar Mass: 476.03

Atom Count: 62

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 475.1696407
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SXNOCCFQWUKUDY-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 131.4
Topological Polar Surface Area 70.67
Polarizability 49.23
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H30ClN3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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