ethyl 2-[5-(4-fluorophenyl)furan-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[5-(4-fluorophenyl)furan-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C22H20FNO4S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=C(O2)C2=CC=C(F)C=C2)SC2=C1CCCC2

IUPAC: ethyl 2-[5-(4-fluorophenyl)furan-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C22H20FNO4S/c1-2-27-22(26)19-15-5-3-4-6-18(15)29-21(19)24-20(25)17-12-11-16(28-17)13-7-9-14(23)10-8-13/h7-12H,2-6H2,1H3,(H,24,25)

Composition: C (63.91%), H (4.88%), F (4.59%), N (3.39%), O (15.48%), S (7.75%)

Molar Mass: 413.46

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	413.109707465
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XRQSOAXSGKXBAG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	109.67
Topological Polar Surface Area	68.54
Polarizability	41.86
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H20FNO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00