N'-[(E)-[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene]-2-[3-(trifluoromethyl)phenyl]acetohydrazide

N'-[(E)-[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene]-2-[3-(trifluoromethyl)phenyl]acetohydrazide

Formula: C20H16F3IN2O3

SMILES: COC1=CC(C=NNC(=O)CC2=CC=CC(=C2)C(F)(F)F)=CC(I)=C1OCC#C

IUPAC: N'-[(E)-[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene]-2-[3-(trifluoromethyl)phenyl]acetohydrazide

InChI: InChI=1S/C20H16F3IN2O3/c1-3-7-29-19-16(24)9-14(10-17(19)28-2)12-25-26-18(27)11-13-5-4-6-15(8-13)20(21,22)23/h1,4-6,8-10,12H,7,11H2,2H3,(H,26,27)/b25-12+

Composition: C (46.53%), H (3.12%), F (11.04%), I (24.58%), N (5.43%), O (9.30%)

Molar Mass: 516.259

Atom Count: 45

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	516.01577
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QFOJGIYWSAXLPD-BRJLIKDPSA-N
Lipinski's Rule of Five
Molar Refractivity	112.13
Topological Polar Surface Area	59.92
Polarizability	41.43
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H16F3IN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00