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10-(2,5-dimethoxyphenyl)-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

10-(2,5-dimethoxyphenyl)-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C27H26N2O3

SMILES: COC1=CC=C(OC)C(=C1)C1NC2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=CC=C1

IUPAC: 10-(2,5-dimethoxyphenyl)-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C27H26N2O3/c1-31-19-12-13-25(32-2)20(16-19)27-26-23(28-21-10-6-7-11-22(21)29-27)14-18(15-24(26)30)17-8-4-3-5-9-17/h3-13,16,18,27-29H,14-15H2,1-2H3

Composition: C (76.03%), H (6.14%), N (6.57%), O (11.25%)

Molar Mass: 426.516

Atom Count: 58

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 426.194342705
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey GCVGKBWXCHEOJV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 129.29
Topological Polar Surface Area 59.59
Polarizability 48.1
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H26N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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