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4-[2-(2-oxo-2-phenylethoxy)phenyl]-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-ene-3,5-dione

4-[2-(2-oxo-2-phenylethoxy)phenyl]-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-ene-3,5-dione

Formula: C25H21NO4

SMILES: O=C(COC1=CC=CC=C1N1C(=O)C2C(C3C=CC2C2CC32)C1=O)C1=CC=CC=C1

IUPAC: 4-[2-(2-oxo-2-phenylethoxy)phenyl]-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-ene-3,5-dione

InChI: InChI=1/C25H21NO4/c27-20(14-6-2-1-3-7-14)13-30-21-9-5-4-8-19(21)26-24(28)22-15-10-11-16(18-12-17(15)18)23(22)25(26)29/h1-11,15-18,22-23H,12-13H2

Composition: C (75.17%), H (5.30%), N (3.51%), O (16.02%)

Molar Mass: 399.446

Atom Count: 51

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 6
Exact Mass 399.14705816
Formal Charge 0
FSP3 0.32
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey OVVNDCMXEBIVJG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.98
Topological Polar Surface Area 63.68
Polarizability 42.7
Ring Count 6
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H21NO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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