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(2E)-2-cyano-3-(5-{3-cyclohexyl-3,5,8,10-tetraazatricyclo[7.3.0.0²,?]dodeca-1(9),2(6),4,7,11-pentaen-4-yl}furan-2-yl)-N,N-dimethylprop-2-enamide

(2E)-2-cyano-3-(5-{3-cyclohexyl-3,5,8,10-tetraazatricyclo[7.3.0.0²,?]dodeca-1(9),2(6),4,7,11-pentaen-4-yl}furan-2-yl)-N,N-dimethylprop-2-enamide

CAS: 2226521-65-7

Formula: C24H24N6O2

SMILES: CN(C)C(=O)C(=CC1=CC=C(O1)C1=NC2=C(N1C1CCCCC1)C1=C(NC=C1)N=C2)C#N

IUPAC: (2E)-2-cyano-3-(5-{3-cyclohexyl-3,5,8,10-tetraazatricyclo[7.3.0.0²,?]dodeca-1(9),2(6),4,7,11-pentaen-4-yl}furan-2-yl)-N,N-dimethylprop-2-enamide

InChI: InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+

Composition: C (67.27%), H (5.65%), N (19.61%), O (7.47%)

Molar Mass: 428.496

Atom Count: 56

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 428.196074037
Formal Charge 0
FSP3 0.33
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GJMZWYLOARVASY-NTCAYCPXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 130.8
Topological Polar Surface Area 103.74
Polarizability 47.54
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 2226521-65-7 $75.68-$371.50$75.68$129.95$194.16$371.50
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