ethyl 4-(5-{[(4Z)-1-(3-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

ethyl 4-(5-{[(4Z)-1-(3-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

Formula: C23H17BrN2O5

SMILES: CCOC(=O)C1=CC=C(C=C1)C1=CC=C(O1)C=C1C(=O)NN(C1=O)C1=CC=CC(Br)=C1

IUPAC: ethyl 4-(5-{[(4Z)-1-(3-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

InChI: InChI=1S/C23H17BrN2O5/c1-2-30-23(29)15-8-6-14(7-9-15)20-11-10-18(31-20)13-19-21(27)25-26(22(19)28)17-5-3-4-16(24)12-17/h3-13H,2H2,1H3,(H,25,27)/b19-13-

Composition: C (57.40%), H (3.56%), Br (16.60%), N (5.82%), O (16.62%)

Molar Mass: 481.302

Atom Count: 48

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	480.032085
Formal Charge	0
FSP3	0.09
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BRPPOZVIVFYVTO-UYRXBGFRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.65
Topological Polar Surface Area	88.85
Polarizability	45.56
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H17BrN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00