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4,6-dichloro-11-methyl-15-phenyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.0²,?.0¹³,¹?]heptadeca-1(10),2(7),3,5,11,13(17)-hexaene-9,16-dione

4,6-dichloro-11-methyl-15-phenyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.0²,?.0¹³,¹?]heptadeca-1(10),2(7),3,5,11,13(17)-hexaene-9,16-dione

Formula: C20H11Cl2N3O3

SMILES: CC1=NC2=C(C(=O)N(N2)C2=CC=CC=C2)C2=C1C(=O)OC1=C2C=C(Cl)C=C1Cl

IUPAC: 4,6-dichloro-11-methyl-15-phenyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.0²,?.0¹³,¹?]heptadeca-1(10),2(7),3,5,11,13(17)-hexaene-9,16-dione

InChI: InChI=1S/C20H11Cl2N3O3/c1-9-14-15(12-7-10(21)8-13(22)17(12)28-20(14)27)16-18(23-9)24-25(19(16)26)11-5-3-2-4-6-11/h2-8H,1H3,(H,23,24)

Composition: C (58.27%), H (2.69%), Cl (17.20%), N (10.19%), O (11.64%)

Molar Mass: 412.23

Atom Count: 39

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 411.0177466
Formal Charge 0
FSP3 0.05
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VYGSVQSOXCIPHX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 106.67
Topological Polar Surface Area 71.53
Polarizability 40.79
Ring Count 5
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H11Cl2N3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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