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13-benzoyl-5-methyl-1,13-diazatricyclo[10.3.1.0²,?]hexadeca-2,4,6-triene-8,16-dione

13-benzoyl-5-methyl-1,13-diazatricyclo[10.3.1.0²,?]hexadeca-2,4,6-triene-8,16-dione

Formula: C22H22N2O3

SMILES: CC1=CC=C2N3CCN(C(CCCC(=O)C2=C1)C3=O)C(=O)C1=CC=CC=C1

IUPAC: 13-benzoyl-5-methyl-1,13-diazatricyclo[10.3.1.0²,?]hexadeca-2,4,6-triene-8,16-dione

InChI: InChI=1/C22H22N2O3/c1-15-10-11-18-17(14-15)20(25)9-5-8-19-22(27)23(18)12-13-24(19)21(26)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,19H,5,8-9,12-13H2,1H3

Composition: C (72.91%), H (6.12%), N (7.73%), O (13.24%)

Molar Mass: 362.429

Atom Count: 49

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 362.163042576
Formal Charge 0
FSP3 0.32
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JPPGVCFJYWRWEZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.12
Topological Polar Surface Area 57.69
Polarizability 39.04
Ring Count 4
Rotatable Bond Count 1

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H22N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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