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N-[2-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-nitrobenzamide

N-[2-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-nitrobenzamide

Formula: C23H18N4O5S2

SMILES: COC1=CC=CC=C1NC(=O)CSC1=NC2=CC=C(NC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C=C2S1

IUPAC: N-[2-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-nitrobenzamide

InChI: InChI=1S/C23H18N4O5S2/c1-32-19-5-3-2-4-17(19)25-21(28)13-33-23-26-18-11-8-15(12-20(18)34-23)24-22(29)14-6-9-16(10-7-14)27(30)31/h2-12H,13H2,1H3,(H,24,29)(H,25,28)

Composition: C (55.86%), H (3.67%), N (11.33%), O (16.18%), S (12.97%)

Molar Mass: 494.54

Atom Count: 52

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 494.071862044
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey WFMAKOYBBBZJCY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 132.19
Topological Polar Surface Area 123.46
Polarizability 50.19
Ring Count 4
Rotatable Bond Count 8

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H18N4O5S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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