methyl 4-[(1E)-2-cyano-2-(cycloheptylcarbamoyl)eth-1-en-1-yl]benzoate

methyl 4-[(1E)-2-cyano-2-(cycloheptylcarbamoyl)eth-1-en-1-yl]benzoate

Formula: C19H22N2O3

SMILES: COC(=O)C1=CC=C(C=C(/C#N)C(=O)NC2CCCCCC2)C=C1

IUPAC: methyl 4-[(1E)-2-cyano-2-(cycloheptylcarbamoyl)eth-1-en-1-yl]benzoate

InChI: InChI=1S/C19H22N2O3/c1-24-19(23)15-10-8-14(9-11-15)12-16(13-20)18(22)21-17-6-4-2-3-5-7-17/h8-12,17H,2-7H2,1H3,(H,21,22)/b16-12+

Composition: C (69.92%), H (6.79%), N (8.58%), O (14.71%)

Molar Mass: 326.396

Atom Count: 46

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	326.163042576
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KZQLJDDKZVTLTF-FOWTUZBSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.47
Topological Polar Surface Area	79.19
Polarizability	35.08
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H22N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00