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17-[(E)-[(2,4-diethoxyphenyl)methylidene]amino]-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

17-[(E)-[(2,4-diethoxyphenyl)methylidene]amino]-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

Formula: C29H26N2O4

SMILES: CCOC1=CC=C(C=NN2C(=O)C3C(C4C5=C(C=CC=C5)C3C3=C4C=CC=C3)C2=O)C(OCC)=C1

IUPAC: 17-[(E)-[(2,4-diethoxyphenyl)methylidene]amino]-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

InChI: InChI=1/C29H26N2O4/c1-3-34-18-14-13-17(23(15-18)35-4-2)16-30-31-28(32)26-24-19-9-5-6-10-20(19)25(27(26)29(31)33)22-12-8-7-11-21(22)24/h5-16,24-27H,3-4H2,1-2H3/b30-16+

Composition: C (74.66%), H (5.62%), N (6.00%), O (13.72%)

Molar Mass: 466.537

Atom Count: 61

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 466.189257325
Formal Charge 0
FSP3 0.28
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey ROCFVUAQTSLGKY-OKCVXOCRNA-N
Lipinski's Rule of Five 1
Molar Refractivity 133.52
Topological Polar Surface Area 68.2
Polarizability 50.93
Ring Count 6
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H26N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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