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

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

Formula: C28H27BrN2O4

SMILES: CCOC1=CC(=CC(Br)=C1O)C1NC2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=C(OC)C=C1

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

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

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 3
InChIKey LPRZLVPWXHUBQR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 143.65
Topological Polar Surface Area 79.82
Polarizability 53.25
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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