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10-(6-bromo-2H-1,3-benzodioxol-5-yl)-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

10-(6-bromo-2H-1,3-benzodioxol-5-yl)-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

Formula: C26H21BrN2O3

SMILES: BrC1=CC2=C(OCO2)C=C1C1NC2=C(NC3=C1C(=O)CC(C3)C1=CC=CC=C1)C=CC=C2

IUPAC: 10-(6-bromo-2H-1,3-benzodioxol-5-yl)-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

InChI: InChI=1/C26H21BrN2O3/c27-18-13-24-23(31-14-32-24)12-17(18)26-25-21(28-19-8-4-5-9-20(19)29-26)10-16(11-22(25)30)15-6-2-1-3-7-15/h1-9,12-13,16,26,28-29H,10-11,14H2

Composition: C (63.81%), H (4.33%), Br (16.33%), N (5.72%), O (9.81%)

Molar Mass: 489.369

Atom Count: 53

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 488.073556
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey FCIMAGNJPMTITG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 129.76
Topological Polar Surface Area 59.59
Polarizability 48.22
Ring Count 6
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H21BrN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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