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

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

Formula: C25H21BrN2O

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

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

InChI: InChI=1/C25H21BrN2O/c26-19-11-5-4-10-18(19)25-24-22(27-20-12-6-7-13-21(20)28-25)14-17(15-23(24)29)16-8-2-1-3-9-16/h1-13,17,25,27-28H,14-15H2

Composition: C (67.42%), H (4.75%), Br (17.94%), N (6.29%), O (3.59%)

Molar Mass: 445.36

Atom Count: 50

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 444.083726
Formal Charge 0
FSP3 0.16
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ASSBIDWZDQGTAA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 123.99
Topological Polar Surface Area 41.13
Polarizability 45.71
Ring Count 5
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H21BrN2O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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