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14-phenyl-9-propanoyl-10-(pyridin-3-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

14-phenyl-9-propanoyl-10-(pyridin-3-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

Formula: C27H25N3O2

SMILES: CCC(=O)N1C(C2=CC=CN=C2)C2=C(CC(CC2=O)C2=CC=CC=C2)NC2=C1C=CC=C2

IUPAC: 14-phenyl-9-propanoyl-10-(pyridin-3-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

InChI: InChI=1/C27H25N3O2/c1-2-25(32)30-23-13-7-6-12-21(23)29-22-15-20(18-9-4-3-5-10-18)16-24(31)26(22)27(30)19-11-8-14-28-17-19/h3-14,17,20,27,29H,2,15-16H2,1H3

Composition: C (76.57%), H (5.95%), N (9.92%), O (7.56%)

Molar Mass: 423.516

Atom Count: 57

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 423.194677057
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GWIFMXIJQVIINZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.62
Topological Polar Surface Area 62.3
Polarizability 47.75
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H25N3O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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