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N-(2,4-dichlorophenyl)-2-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}acetamide

N-(2,4-dichlorophenyl)-2-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}acetamide

Formula: C26H18Cl2N2O3

SMILES: ClC1=CC=C(NC(=O)CN2C(=O)C3C(C4C5=C(C=CC=C5)C3C3=C4C=CC=C3)C2=O)C(Cl)=C1

IUPAC: N-(2,4-dichlorophenyl)-2-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}acetamide

InChI: InChI=1/C26H18Cl2N2O3/c27-13-9-10-19(18(28)11-13)29-20(31)12-30-25(32)23-21-14-5-1-2-6-15(14)22(24(23)26(30)33)17-8-4-3-7-16(17)21/h1-11,21-24H,12H2,(H,29,31)

Composition: C (65.42%), H (3.80%), Cl (14.85%), N (5.87%), O (10.06%)

Molar Mass: 477.34

Atom Count: 51

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 476.0694478
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XNJIGJIZUSSFJZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.86
Topological Polar Surface Area 66.48
Polarizability 48.3
Ring Count 6
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H18Cl2N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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