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

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

Formula: C23H23NO5

SMILES: CC1=CC=C(C)C(=C1)C(=O)COC(=O)CN1C(=O)C2C(C3C=CC2C2CC32)C1=O

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

InChI: InChI=1/C23H23NO5/c1-11-3-4-12(2)15(7-11)18(25)10-29-19(26)9-24-22(27)20-13-5-6-14(17-8-16(13)17)21(20)23(24)28/h3-7,13-14,16-17,20-21H,8-10H2,1-2H3

Composition: C (70.21%), H (5.89%), N (3.56%), O (20.33%)

Molar Mass: 393.439

Atom Count: 52

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 6
Exact Mass 393.157622845
Formal Charge 0
FSP3 0.48
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ADRRWRLVBGBYMZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.67
Topological Polar Surface Area 80.75
Polarizability 40.46
Ring Count 5
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H23NO5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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