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9-acetyl-14-(furan-2-yl)-10-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

9-acetyl-14-(furan-2-yl)-10-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

Formula: C26H24N2O4

SMILES: COC1=CC=C(C=C1)C1N(C(C)=O)C2=C(NC3=C1C(=O)CC(C3)C1=CC=CO1)C=CC=C2

IUPAC: 9-acetyl-14-(furan-2-yl)-10-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

InChI: InChI=1/C26H24N2O4/c1-16(29)28-22-7-4-3-6-20(22)27-21-14-18(24-8-5-13-32-24)15-23(30)25(21)26(28)17-9-11-19(31-2)12-10-17/h3-13,18,26-27H,14-15H2,1-2H3

Composition: C (72.88%), H (5.65%), N (6.54%), O (14.94%)

Molar Mass: 428.488

Atom Count: 56

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 428.173607261
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MPDSXYRJWFCSBN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 123.08
Topological Polar Surface Area 71.78
Polarizability 46.17
Ring Count 5
Rotatable Bond Count 3

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H24N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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