4-[(1E)-2-cyano-2-[(4-iodophenyl)carbamoyl]eth-1-en-1-yl]phenyl benzoate

4-[(1E)-2-cyano-2-[(4-iodophenyl)carbamoyl]eth-1-en-1-yl]phenyl benzoate

Formula: C23H15IN2O3

SMILES: IC1=CC=C(NC(=O)C(=CC2=CC=C(OC(=O)C3=CC=CC=C3)C=C2)C#N)C=C1

IUPAC: 4-[(1E)-2-cyano-2-[(4-iodophenyl)carbamoyl]eth-1-en-1-yl]phenyl benzoate

InChI: InChI=1S/C23H15IN2O3/c24-19-8-10-20(11-9-19)26-22(27)18(15-25)14-16-6-12-21(13-7-16)29-23(28)17-4-2-1-3-5-17/h1-14H,(H,26,27)/b18-14+

Composition: C (55.89%), H (3.06%), I (25.67%), N (5.67%), O (9.71%)

Molar Mass: 494.288

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	494.01274
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NUTUFLWNQXHQJH-NBVRZTHBSA-N
Lipinski's Rule of Five
Molar Refractivity	121.56
Topological Polar Surface Area	79.19
Polarizability	45.26
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H15IN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00