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N-cyclohexyl-2-(2-{3-oxo-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-2-yl}acetamido)benzamide

N-cyclohexyl-2-(2-{3-oxo-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-2-yl}acetamido)benzamide

Formula: C26H25N3O3

SMILES: O=C(CN1C(=O)C2=C3C1=CC=CC3=CC=C2)NC1=CC=CC=C1C(=O)NC1CCCCC1

IUPAC: N-cyclohexyl-2-(2-{3-oxo-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-2-yl}acetamido)benzamide

InChI: InChI=1S/C26H25N3O3/c30-23(16-29-22-15-7-9-17-8-6-13-20(24(17)22)26(29)32)28-21-14-5-4-12-19(21)25(31)27-18-10-2-1-3-11-18/h4-9,12-15,18H,1-3,10-11,16H2,(H,27,31)(H,28,30)

Composition: C (73.05%), H (5.89%), N (9.83%), O (11.23%)

Molar Mass: 427.504

Atom Count: 57

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 427.189591677
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RQZYJVRYPUXPIA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.45
Topological Polar Surface Area 78.51
Polarizability 47.75
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H25N3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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