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

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

Formula: C28H28N2O5

SMILES: COC1=CC(=CC=C1O)C1NC2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=C(OC)C(OC)=C1

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

InChI: InChI=1/C28H28N2O5/c1-33-24-11-9-16(14-26(24)35-3)18-12-21-27(23(32)13-18)28(17-8-10-22(31)25(15-17)34-2)30-20-7-5-4-6-19(20)29-21/h4-11,14-15,18,28-31H,12-13H2,1-3H3

Composition: C (71.17%), H (5.97%), N (5.93%), O (16.93%)

Molar Mass: 472.541

Atom Count: 63

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 472.19982201
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey XZWLZKXIAWPSPH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 137.74
Topological Polar Surface Area 89.05
Polarizability 51.21
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H28N2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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