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9-acetyl-10-(2-chlorophenyl)-14-(4-fluorophenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

9-acetyl-10-(2-chlorophenyl)-14-(4-fluorophenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C27H22ClFN2O2

SMILES: CC(=O)N1C(C2=CC=CC=C2Cl)C2=C(CC(CC2=O)C2=CC=C(F)C=C2)NC2=CC=CC=C12

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

InChI: InChI=1/C27H22ClFN2O2/c1-16(32)31-24-9-5-4-8-22(24)30-23-14-18(17-10-12-19(29)13-11-17)15-25(33)26(23)27(31)20-6-2-3-7-21(20)28/h2-13,18,27,30H,14-15H2,1H3

Composition: C (70.36%), H (4.81%), Cl (7.69%), F (4.12%), N (6.08%), O (6.94%)

Molar Mass: 460.93

Atom Count: 55

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 460.1353838
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CUGZKDNLUVUMLK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 129.17
Topological Polar Surface Area 49.41
Polarizability 48.32
Ring Count 5
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H22ClFN2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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