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

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

Formula: C21H22N2O3

SMILES: CC1=CC=C(NC(=O)CN2C(=O)C3C(C4C=CC3C3CC43)C2=O)C=C1C

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

InChI: InChI=1/C21H22N2O3/c1-10-3-4-12(7-11(10)2)22-17(24)9-23-20(25)18-13-5-6-14(16-8-15(13)16)19(18)21(23)26/h3-7,13-16,18-19H,8-9H2,1-2H3,(H,22,24)

Composition: C (71.98%), H (6.33%), N (7.99%), O (13.70%)

Molar Mass: 350.418

Atom Count: 48

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 6
Exact Mass 350.163042576
Formal Charge 0
FSP3 0.48
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OLEXVNQVJBYREK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.28
Topological Polar Surface Area 66.48
Polarizability 37.13
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H22N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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