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

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

Formula: C28H26N2O3

SMILES: COC1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1N(C2C1=CC=CC=C1)C(C)=O

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

InChI: InChI=1/C28H26N2O3/c1-18(31)30-25-11-7-6-10-23(25)29-24-16-21(19-12-14-22(33-2)15-13-19)17-26(32)27(24)28(30)20-8-4-3-5-9-20/h3-15,21,28-29H,16-17H2,1-2H3

Composition: C (76.69%), H (5.98%), N (6.39%), O (10.95%)

Molar Mass: 438.527

Atom Count: 59

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 438.194342705
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CHAKSZGALGQIOW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 130.62
Topological Polar Surface Area 58.64
Polarizability 49.32
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H26N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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