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(4E)-1-(3-chlorophenyl)-4-{[4-(diethylamino)-2-propoxyphenyl]methylidene}pyrazolidine-3,5-dione

(4E)-1-(3-chlorophenyl)-4-{[4-(diethylamino)-2-propoxyphenyl]methylidene}pyrazolidine-3,5-dione

Formula: C23H26ClN3O3

SMILES: CCCOC1=CC(=CC=C1C=C1/C(=O)NN(C1=O)C1=CC=CC(Cl)=C1)N(CC)CC

IUPAC: (4E)-1-(3-chlorophenyl)-4-{[4-(diethylamino)-2-propoxyphenyl]methylidene}pyrazolidine-3,5-dione

InChI: InChI=1S/C23H26ClN3O3/c1-4-12-30-21-15-18(26(5-2)6-3)11-10-16(21)13-20-22(28)25-27(23(20)29)19-9-7-8-17(24)14-19/h7-11,13-15H,4-6,12H2,1-3H3,(H,25,28)/b20-13+

Composition: C (64.56%), H (6.12%), Cl (8.28%), N (9.82%), O (11.22%)

Molar Mass: 427.93

Atom Count: 56

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 427.1662694
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey AWQSTPNSCBBQMY-DEDYPNTBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.32
Topological Polar Surface Area 61.88
Polarizability 45.29
Ring Count 3
Rotatable Bond Count 8

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H26ClN3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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