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

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

Formula: C21H15N3O2

SMILES: O=C(CN1C(=O)C2=C3C1=CC=CC3=CC=C2)NC1=CC=C(CC#N)C=C1

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

InChI: InChI=1S/C21H15N3O2/c22-12-11-14-7-9-16(10-8-14)23-19(25)13-24-18-6-2-4-15-3-1-5-17(20(15)18)21(24)26/h1-10H,11,13H2,(H,23,25)

Composition: C (73.89%), H (4.43%), N (12.31%), O (9.37%)

Molar Mass: 341.37

Atom Count: 41

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 341.116426735
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JSJPUHNHKAEHBR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.75
Topological Polar Surface Area 73.2
Polarizability 38.12
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H15N3O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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