4-[(1E)-2-(benzylcarbamoyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate

4-[(1E)-2-(benzylcarbamoyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate

Formula: C23H18N2O4S

SMILES: COC1=CC(C=C(/C#N)C(=O)NCC2=CC=CC=C2)=CC=C1OC(=O)C1=CC=CS1

IUPAC: 4-[(1E)-2-(benzylcarbamoyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate

InChI: InChI=1S/C23H18N2O4S/c1-28-20-13-17(9-10-19(20)29-23(27)21-8-5-11-30-21)12-18(14-24)22(26)25-15-16-6-3-2-4-7-16/h2-13H,15H2,1H3,(H,25,26)/b18-12+

Composition: C (66.02%), H (4.34%), N (6.69%), O (15.29%), S (7.66%)

Molar Mass: 418.47

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	418.098728242
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VGWVCPNBTZJWHE-LDADJPATSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.6
Topological Polar Surface Area	88.42
Polarizability	43.29
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H18N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00