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N-(3-acetylphenyl)-3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzamide

N-(3-acetylphenyl)-3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzamide

Formula: C26H22N2O4

SMILES: CC(=O)C1=CC(NC(=O)C2=CC(=CC=C2)N2C(=O)C3C(C4C=CC3C3CC43)C2=O)=CC=C1

IUPAC: N-(3-acetylphenyl)-3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzamide

InChI: InChI=1/C26H22N2O4/c1-13(29)14-4-2-6-16(10-14)27-24(30)15-5-3-7-17(11-15)28-25(31)22-18-8-9-19(21-12-20(18)21)23(22)26(28)32/h2-11,18-23H,12H2,1H3,(H,27,30)

Composition: C (73.23%), H (5.20%), N (6.57%), O (15.01%)

Molar Mass: 426.472

Atom Count: 54

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 6
Exact Mass 426.157957196
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GZKUFCZDPHINBR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.55
Topological Polar Surface Area 83.55
Polarizability 45.04
Ring Count 6
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H22N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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