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

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

Formula: C24H18Cl2N2O3

SMILES: ClC1=CC=C(NC(=O)C2=CC(=CC=C2)N2C(=O)C3C(C4C=CC3C3CC43)C2=O)C=C1Cl

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

InChI: InChI=1/C24H18Cl2N2O3/c25-18-7-4-12(9-19(18)26)27-22(29)11-2-1-3-13(8-11)28-23(30)20-14-5-6-15(17-10-16(14)17)21(20)24(28)31/h1-9,14-17,20-21H,10H2,(H,27,29)

Composition: C (63.59%), H (4.00%), Cl (15.64%), N (6.18%), O (10.59%)

Molar Mass: 453.32

Atom Count: 49

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 6
Exact Mass 452.0694478
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HEAXYHCSOUGUJE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 119.75
Topological Polar Surface Area 66.48
Polarizability 45.11
Ring Count 6
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H18Cl2N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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