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(4Z)-4-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione

(4Z)-4-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione

Formula: C25H22N2O5

SMILES: COC1=CC(C=C2C(=O)NN(C2=O)C2=CC=CC=C2)=CC=C1OCCOC1=CC=CC=C1

IUPAC: (4Z)-4-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione

InChI: InChI=1S/C25H22N2O5/c1-30-23-17-18(12-13-22(23)32-15-14-31-20-10-6-3-7-11-20)16-21-24(28)26-27(25(21)29)19-8-4-2-5-9-19/h2-13,16-17H,14-15H2,1H3,(H,26,28)/b21-16-

Composition: C (69.76%), H (5.15%), N (6.51%), O (18.58%)

Molar Mass: 430.46

Atom Count: 54

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 430.152871816
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey FGQBCVOAOSUATK-PGMHBOJBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 119.33
Topological Polar Surface Area 77.1
Polarizability 45.87
Ring Count 4
Rotatable Bond Count 8

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Purity (%)
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Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H22N2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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