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10-(3-bromophenyl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

10-(3-bromophenyl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C21H21BrN2O

SMILES: CC1(C)CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC(Br)=CC=C1

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

InChI: InChI=1/C21H21BrN2O/c1-21(2)11-17-19(18(25)12-21)20(13-6-5-7-14(22)10-13)24-16-9-4-3-8-15(16)23-17/h3-10,20,23-24H,11-12H2,1-2H3

Composition: C (63.48%), H (5.33%), Br (20.11%), N (7.05%), O (4.03%)

Molar Mass: 397.316

Atom Count: 46

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 396.083726
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WOAGWKCGXQPAPI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.37
Topological Polar Surface Area 41.13
Polarizability 39.82
Ring Count 4
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H21BrN2O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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