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14-(3,4-dimethoxyphenyl)-10-[2-(trifluoromethyl)phenyl]-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

14-(3,4-dimethoxyphenyl)-10-[2-(trifluoromethyl)phenyl]-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C28H25F3N2O3

SMILES: COC1=CC=C(C=C1OC)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC=CC=C1C(F)(F)F

IUPAC: 14-(3,4-dimethoxyphenyl)-10-[2-(trifluoromethyl)phenyl]-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C28H25F3N2O3/c1-35-24-12-11-16(15-25(24)36-2)17-13-22-26(23(34)14-17)27(33-21-10-6-5-9-20(21)32-22)18-7-3-4-8-19(18)28(29,30)31/h3-12,15,17,27,32-33H,13-14H2,1-2H3

Composition: C (68.01%), H (5.10%), F (11.53%), N (5.66%), O (9.71%)

Molar Mass: 494.514

Atom Count: 61

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 494.181727162
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XARIKKKVMUHCHJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 135.27
Topological Polar Surface Area 59.59
Polarizability 49.06
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H25F3N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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