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

Formula: C27H24BrClN2O3

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

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

InChI: InChI=1/C27H24BrClN2O3/c1-2-34-24-14-17(11-19(28)27(24)33)26-25-22(30-20-5-3-4-6-21(20)31-26)12-16(13-23(25)32)15-7-9-18(29)10-8-15/h3-11,14,16,26,30-31,33H,2,12-13H2,1H3

Composition: C (60.07%), H (4.48%), Br (14.80%), Cl (6.57%), N (5.19%), O (8.89%)

Molar Mass: 539.85

Atom Count: 58

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 538.065883
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey USFZCJNMTIVBHL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 141.99
Topological Polar Surface Area 70.59
Polarizability 52.62
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H24BrClN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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