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2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-N-(3-methoxyphenyl)benzamide

2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-N-(3-methoxyphenyl)benzamide

Formula: C25H22N2O4

SMILES: COC1=CC=CC(NC(=O)C2=CC=CC=C2N2C(=O)C3C(C4C=CC3C3CC43)C2=O)=C1

IUPAC: 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-N-(3-methoxyphenyl)benzamide

InChI: InChI=1/C25H22N2O4/c1-31-14-6-4-5-13(11-14)26-23(28)17-7-2-3-8-20(17)27-24(29)21-15-9-10-16(19-12-18(15)19)22(21)25(27)30/h2-11,15-16,18-19,21-22H,12H2,1H3,(H,26,28)

Composition: C (72.45%), H (5.35%), N (6.76%), O (15.44%)

Molar Mass: 414.461

Atom Count: 53

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 6
Exact Mass 414.157957196
Formal Charge 0
FSP3 0.32
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YUIOLTJERQAJEI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.61
Topological Polar Surface Area 75.71
Polarizability 43.83
Ring Count 6
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H22N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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