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

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

Formula: C35H32N2O3

SMILES: CCC(=O)N1C(C2=CC=CC=C2OCC2=CC=CC=C2)C2=C(CC(CC2=O)C2=CC=CC=C2)NC2=C1C=CC=C2

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

InChI: InChI=1/C35H32N2O3/c1-2-33(39)37-30-19-11-10-18-28(30)36-29-21-26(25-15-7-4-8-16-25)22-31(38)34(29)35(37)27-17-9-12-20-32(27)40-23-24-13-5-3-6-14-24/h3-20,26,35-36H,2,21-23H2,1H3

Composition: C (79.52%), H (6.10%), N (5.30%), O (9.08%)

Molar Mass: 528.652

Atom Count: 72

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 2
Exact Mass 528.241292898
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KFWHLJAZLWQBRL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 159.86
Topological Polar Surface Area 58.64
Polarizability 60.78
Ring Count 6
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C35H32N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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