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

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

Formula: C23H28ClN3O4S

SMILES: COC1=CC=C(Cl)C=C1NC(=O)C1=C(NC(=O)CN2CCOCC2)SC2=C1CCC(C)C2

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

InChI: InChI=1/C23H28ClN3O4S/c1-14-3-5-16-19(11-14)32-23(26-20(28)13-27-7-9-31-10-8-27)21(16)22(29)25-17-12-15(24)4-6-18(17)30-2/h4,6,12,14H,3,5,7-11,13H2,1-2H3,(H,25,29)(H,26,28)

Composition: C (57.79%), H (5.90%), Cl (7.42%), N (8.79%), O (13.39%), S (6.71%)

Molar Mass: 478

Atom Count: 60

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 477.1489053
Formal Charge 0
FSP3 0.48
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey WEOGDHHDXIXTQH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 128.46
Topological Polar Surface Area 79.9
Polarizability 48.12
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H28ClN3O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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