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cyclohexyl 2-{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}-3-methylbutanoate

cyclohexyl 2-{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}-3-methylbutanoate

Formula: C29H31NO4

SMILES: CC(C)C(N1C(=O)C2C(C3C4=C(C=CC=C4)C2C2=C3C=CC=C2)C1=O)C(=O)OC1CCCCC1

IUPAC: cyclohexyl 2-{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}-3-methylbutanoate

InChI: InChI=1/C29H31NO4/c1-16(2)26(29(33)34-17-10-4-3-5-11-17)30-27(31)24-22-18-12-6-7-13-19(18)23(25(24)28(30)32)21-15-9-8-14-20(21)22/h6-9,12-17,22-26H,3-5,10-11H2,1-2H3

Composition: C (76.12%), H (6.83%), N (3.06%), O (13.99%)

Molar Mass: 457.57

Atom Count: 65

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 457.225308482
Formal Charge 0
FSP3 0.48
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey WWYBIZOJBKCRET-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 128.25
Topological Polar Surface Area 63.68
Polarizability 50.35
Ring Count 6
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H31NO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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