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

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

Formula: C27H26N2O2

SMILES: COC1=CC=C(C=C1)C1NC2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=C(C)C=C1

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

InChI: InChI=1/C27H26N2O2/c1-17-7-9-18(10-8-17)20-15-24-26(25(30)16-20)27(19-11-13-21(31-2)14-12-19)29-23-6-4-3-5-22(23)28-24/h3-14,20,27-29H,15-16H2,1-2H3

Composition: C (79.00%), H (6.38%), N (6.82%), O (7.79%)

Molar Mass: 410.517

Atom Count: 57

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 410.199428085
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey KYWJHTLSRBWYHA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 127.87
Topological Polar Surface Area 50.36
Polarizability 47.36
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H26N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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