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propyl 4-(3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}propanamido)benzoate

propyl 4-(3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}propanamido)benzoate

Formula: C24H26N2O5

SMILES: CCCOC(=O)C1=CC=C(NC(=O)CCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)C=C1

IUPAC: propyl 4-(3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}propanamido)benzoate

InChI: InChI=1/C24H26N2O5/c1-2-11-31-24(30)13-3-5-14(6-4-13)25-19(27)9-10-26-22(28)20-15-7-8-16(18-12-17(15)18)21(20)23(26)29/h3-8,15-18,20-21H,2,9-12H2,1H3,(H,25,27)

Composition: C (68.23%), H (6.20%), N (6.63%), O (18.93%)

Molar Mass: 422.481

Atom Count: 57

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 6
Exact Mass 422.184171945
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey HQGWYDIJLPPTNX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.19
Topological Polar Surface Area 92.78
Polarizability 43.57
Ring Count 5
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H26N2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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