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1-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-4-(2-methoxyphenyl)piperazine

1-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-4-(2-methoxyphenyl)piperazine

Formula: C21H21ClN2O2S

SMILES: COC1=CC=CC=C1N1CCN(CC1)C(=O)C1=C(Cl)C2=CC=C(C)C=C2S1

IUPAC: 1-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-4-(2-methoxyphenyl)piperazine

InChI: InChI=1S/C21H21ClN2O2S/c1-14-7-8-15-18(13-14)27-20(19(15)22)21(25)24-11-9-23(10-12-24)16-5-3-4-6-17(16)26-2/h3-8,13H,9-12H2,1-2H3

Composition: C (62.91%), H (5.28%), Cl (8.84%), N (6.99%), O (7.98%), S (8.00%)

Molar Mass: 400.92

Atom Count: 48

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 400.1012268
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CJCKRLVKVCUTSQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.91
Topological Polar Surface Area 32.78
Polarizability 42.9
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H21ClN2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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