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5-methyl-8-phenyl-5,9,19-triazapentacyclo[10.7.0.0²,?.0³,?.0¹³,¹?]nonadeca-1(12),13,15,17-tetraene-4,6-dione

5-methyl-8-phenyl-5,9,19-triazapentacyclo[10.7.0.0²,?.0³,?.0¹³,¹?]nonadeca-1(12),13,15,17-tetraene-4,6-dione

CAS: 111188-96-6

Formula: C23H21N3O2

SMILES: CN1C(=O)C2C(C(N3CCC4=C(NC5=CC=CC=C45)C23)C2=CC=CC=C2)C1=O

IUPAC: 5-methyl-8-phenyl-5,9,19-triazapentacyclo[10.7.0.0²,?.0³,?.0¹³,¹?]nonadeca-1(12),13,15,17-tetraene-4,6-dione

InChI: InChI=1/C23H21N3O2/c1-25-22(27)17-18(23(25)28)21-19-15(14-9-5-6-10-16(14)24-19)11-12-26(21)20(17)13-7-3-2-4-8-13/h2-10,17-18,20-21,24H,11-12H2,1H3

Composition: C (74.37%), H (5.70%), N (11.31%), O (8.61%)

Molar Mass: 371.44

Atom Count: 49

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 4
Exact Mass 371.163376928
Formal Charge 0
FSP3 0.3
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DZZILJUBKCXAKZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.18
Topological Polar Surface Area 56.41
Polarizability 42.25
Ring Count 6
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 111188-96-6 $51.35-$898.04$51.35$63.37$86.31$898.04
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