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10-phenyl-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3(8),4,6-triene-5-carboxamide

10-phenyl-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3(8),4,6-triene-5-carboxamide

Formula: C21H22N2O

SMILES: NC(=O)C1=CC2=C(NC(C3C4CCC(C4)C23)C2=CC=CC=C2)C=C1

IUPAC: 10-phenyl-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3(8),4,6-triene-5-carboxamide

InChI: InChI=1/C21H22N2O/c22-21(24)15-8-9-17-16(11-15)18-13-6-7-14(10-13)19(18)20(23-17)12-4-2-1-3-5-12/h1-5,8-9,11,13-14,18-20,23H,6-7,10H2,(H2,22,24)

Composition: C (79.21%), H (6.96%), N (8.80%), O (5.02%)

Molar Mass: 318.42

Atom Count: 46

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 5
Exact Mass 318.173213336
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey XALTUCOIORLBHQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.64
Topological Polar Surface Area 55.12
Polarizability 36.36
Ring Count 5
Rotatable Bond Count 2

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Purity (%)
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Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C21H22N2O Quote Only