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4,12-dibenzyl-8-(4-chlorophenyl)-6,10-dimethyl-2-oxa-4,5,11,12-tetraazatricyclo[7.3.0.0³,?]dodeca-1(9),3(7),5,10-tetraene

4,12-dibenzyl-8-(4-chlorophenyl)-6,10-dimethyl-2-oxa-4,5,11,12-tetraazatricyclo[7.3.0.0³,?]dodeca-1(9),3(7),5,10-tetraene

Formula: C29H25ClN4O

SMILES: CC1=NN(CC2=CC=CC=C2)C2=C1C(C1=C(O2)N(CC2=CC=CC=C2)N=C1C)C1=CC=C(Cl)C=C1

IUPAC: 4,12-dibenzyl-8-(4-chlorophenyl)-6,10-dimethyl-2-oxa-4,5,11,12-tetraazatricyclo[7.3.0.0³,?]dodeca-1(9),3(7),5,10-tetraene

InChI: InChI=1S/C29H25ClN4O/c1-19-25-27(23-13-15-24(30)16-14-23)26-20(2)32-34(18-22-11-7-4-8-12-22)29(26)35-28(25)33(31-19)17-21-9-5-3-6-10-21/h3-16,27H,17-18H2,1-2H3

Composition: C (72.42%), H (5.24%), Cl (7.37%), N (11.65%), O (3.33%)

Molar Mass: 481

Atom Count: 60

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 480.1716891
Formal Charge 0
FSP3 0.17
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey UNICWCGVVLDNKE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 160.15
Topological Polar Surface Area 44.87
Polarizability 52.99
Ring Count 6
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H25ClN4O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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