4-[(1E)-2-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl benzoate

4-[(1E)-2-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl benzoate

Formula: C25H16ClF3N2O4

SMILES: COC1=CC(C=C(/C#N)C(=O)NC2=CC(=CC=C2Cl)C(F)(F)F)=CC=C1OC(=O)C1=CC=CC=C1

IUPAC: 4-[(1E)-2-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl benzoate

InChI: InChI=1S/C25H16ClF3N2O4/c1-34-22-12-15(7-10-21(22)35-24(33)16-5-3-2-4-6-16)11-17(14-30)23(32)31-20-13-18(25(27,28)29)8-9-19(20)26/h2-13H,1H3,(H,31,32)/b17-11+

Composition: C (59.95%), H (3.22%), Cl (7.08%), F (11.38%), N (5.59%), O (12.78%)

Molar Mass: 500.86

Atom Count: 51

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	500.0750692
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MKDOXTDCPADCOF-GZTJUZNOSA-N
Lipinski's Rule of Five
Molar Refractivity	125.44
Topological Polar Surface Area	88.42
Polarizability	45.76
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H16ClF3N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00