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4-methoxy-N-{1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzamide

4-methoxy-N-{1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzamide

Formula: C27H22N2O4

SMILES: COC1=CC=C(C=C1)C(=O)NN1C(=O)C2C(C1=O)C1(C)C3=C(C=CC=C3)C2C2=C1C=CC=C2

IUPAC: 4-methoxy-N-{1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzamide

InChI: InChI=1/C27H22N2O4/c1-27-19-9-5-3-7-17(19)21(18-8-4-6-10-20(18)27)22-23(27)26(32)29(25(22)31)28-24(30)15-11-13-16(33-2)14-12-15/h3-14,21-23H,1-2H3,(H,28,30)

Composition: C (73.96%), H (5.06%), N (6.39%), O (14.59%)

Molar Mass: 438.483

Atom Count: 55

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 438.157957196
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MUTOTBHVGHRYMO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 132.96
Topological Polar Surface Area 75.71
Polarizability 46.84
Ring Count 6
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H22N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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