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11-(diphenylmethyl)-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),9,11-trien-2-one

11-(diphenylmethyl)-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),9,11-trien-2-one

Formula: C21H18N4O

SMILES: O=C1N2N=C(N=C2NC2=C1CCC2)C(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 11-(diphenylmethyl)-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),9,11-trien-2-one

InChI: InChI=1S/C21H18N4O/c26-20-16-12-7-13-17(16)22-21-23-19(24-25(20)21)18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,18H,7,12-13H2,(H,22,23,24)

Composition: C (73.67%), H (5.30%), N (16.36%), O (4.67%)

Molar Mass: 342.402

Atom Count: 44

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 342.148061216
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey TVXZWWDUYSNUNJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.13
Topological Polar Surface Area 59.81
Polarizability 37.74
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H18N4O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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