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methyl 2-{2-[N-(3-bromophenyl)benzenesulfonamido]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-{2-[N-(3-bromophenyl)benzenesulfonamido]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C24H23BrN2O5S2

SMILES: COC(=O)C1=C(NC(=O)CN(C2=CC=CC(Br)=C2)S(=O)(=O)C2=CC=CC=C2)SC2=C1CCCC2

IUPAC: methyl 2-{2-[N-(3-bromophenyl)benzenesulfonamido]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C24H23BrN2O5S2/c1-32-24(29)22-19-12-5-6-13-20(19)33-23(22)26-21(28)15-27(17-9-7-8-16(25)14-17)34(30,31)18-10-3-2-4-11-18/h2-4,7-11,14H,5-6,12-13,15H2,1H3,(H,26,28)

Composition: C (51.16%), H (4.11%), Br (14.18%), N (4.97%), O (14.20%), S (11.38%)

Molar Mass: 563.48

Atom Count: 57

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 562.023177
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XENVSQHRHQMKAX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 135.48
Topological Polar Surface Area 92.78
Polarizability 52.12
Ring Count 4
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H23BrN2O5S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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