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4-(benzyloxy)phenyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}acetate

4-(benzyloxy)phenyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}acetate

Formula: C26H23NO5

SMILES: O=C(CN1C(=O)C2C(C3C=CC2C2CC32)C1=O)OC1=CC=C(OCC2=CC=CC=C2)C=C1

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

InChI: InChI=1/C26H23NO5/c28-22(32-17-8-6-16(7-9-17)31-14-15-4-2-1-3-5-15)13-27-25(29)23-18-10-11-19(21-12-20(18)21)24(23)26(27)30/h1-11,18-21,23-24H,12-14H2

Composition: C (72.71%), H (5.40%), N (3.26%), O (18.63%)

Molar Mass: 429.472

Atom Count: 55

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 6
Exact Mass 429.157622845
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey SNWNWZGNBKDJNH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.54
Topological Polar Surface Area 72.91
Polarizability 45.25
Ring Count 6
Rotatable Bond Count 7

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H23NO5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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