(4E)-4-({3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

(4E)-4-({3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

Formula: C25H20ClFN2O4

SMILES: CCOC1=CC(C=C2/C(=O)NN(C2=O)C2=CC=CC=C2)=CC(Cl)=C1OCC1=CC=C(F)C=C1

IUPAC: (4E)-4-({3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

InChI: InChI=1S/C25H20ClFN2O4/c1-2-32-22-14-17(13-21(26)23(22)33-15-16-8-10-18(27)11-9-16)12-20-24(30)28-29(25(20)31)19-6-4-3-5-7-19/h3-14H,2,15H2,1H3,(H,28,30)/b20-12+

Composition: C (64.31%), H (4.32%), Cl (7.59%), F (4.07%), N (6.00%), O (13.71%)

Molar Mass: 466.89

Atom Count: 53

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	466.109563
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KCXZOASRKXIEGF-UDWIEESQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.16
Topological Polar Surface Area	67.87
Polarizability	46.77
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H20ClFN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00