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

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

Formula: C26H24N2O4

SMILES: CCOC1=CC=C(NC(=O)C2=CC=CC(=C2)N2C(=O)C3C(C4C=CC3C3CC43)C2=O)C=C1

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

InChI: InChI=1/C26H24N2O4/c1-2-32-17-8-6-15(7-9-17)27-24(29)14-4-3-5-16(12-14)28-25(30)22-18-10-11-19(21-13-20(18)21)23(22)26(28)31/h3-12,18-23H,2,13H2,1H3,(H,27,29)

Composition: C (72.88%), H (5.65%), N (6.54%), O (14.94%)

Molar Mass: 428.488

Atom Count: 56

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 6
Exact Mass 428.173607261
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CIWFEOSWQPEVPL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 121.36
Topological Polar Surface Area 75.71
Polarizability 45.66
Ring Count 6
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H24N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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