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

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

Formula: C28H27BrN2O4

SMILES: COC1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC(Br)=C(OC)C(OC)=C1

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

InChI: InChI=1/C28H27BrN2O4/c1-33-19-10-8-16(9-11-19)17-13-23-26(24(32)14-17)27(31-22-7-5-4-6-21(22)30-23)18-12-20(29)28(35-3)25(15-18)34-2/h4-12,15,17,27,30-31H,13-14H2,1-3H3

Composition: C (62.81%), H (5.08%), Br (14.92%), N (5.23%), O (11.95%)

Molar Mass: 535.438

Atom Count: 62

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 534.11542
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey YXPNQFSFFHALMC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 143.38
Topological Polar Surface Area 68.82
Polarizability 53.32
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H27BrN2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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