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

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

Formula: C24H19ClN2O3

SMILES: ClC1=CC=CC=C1NC(=O)C1=CC=C(C=C1)N1C(=O)C2C(C3C=CC2C2CC32)C1=O

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

InChI: InChI=1/C24H19ClN2O3/c25-18-3-1-2-4-19(18)26-22(28)12-5-7-13(8-6-12)27-23(29)20-14-9-10-15(17-11-16(14)17)21(20)24(27)30/h1-10,14-17,20-21H,11H2,(H,26,28)

Composition: C (68.82%), H (4.57%), Cl (8.46%), N (6.69%), O (11.46%)

Molar Mass: 418.88

Atom Count: 49

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 6
Exact Mass 418.1084202
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PXYYRQWHPQKBFD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.95
Topological Polar Surface Area 66.48
Polarizability 43.19
Ring Count 6
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H19ClN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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