(4E)-1-(3-methylphenyl)-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione

(4E)-1-(3-methylphenyl)-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione

Formula: C21H15N3O5

SMILES: CC1=CC=CC(=C1)N1NC(=O)C(=C/C2=CC=C(O2)C2=CC=C(C=C2)[N+]([O-])=O)C1=O

IUPAC: (4E)-1-(3-methylphenyl)-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione

InChI: InChI=1S/C21H15N3O5/c1-13-3-2-4-16(11-13)23-21(26)18(20(25)22-23)12-17-9-10-19(29-17)14-5-7-15(8-6-14)24(27)28/h2-12H,1H3,(H,22,25)/b18-12+

Composition: C (64.78%), H (3.88%), N (10.79%), O (20.54%)

Molar Mass: 389.367

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	389.101170595
Formal Charge	0
FSP3	0.05
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DYJWJPKSPDBIID-LDADJPATSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.62
Topological Polar Surface Area	105.69
Polarizability	40.17
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H15N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00