ethyl 4-{2-[(E)-[(4-fluorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-amido}benzoate

ethyl 4-{2-[(E)-[(4-fluorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-amido}benzoate

Formula: C25H23FN2O3S

SMILES: CCOC(=O)C1=CC=C(NC(=O)C2=C(SC3=C2CCCC3)N=CC2=CC=C(F)C=C2)C=C1

IUPAC: ethyl 4-{2-[(E)-[(4-fluorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-amido}benzoate

InChI: InChI=1S/C25H23FN2O3S/c1-2-31-25(30)17-9-13-19(14-10-17)28-23(29)22-20-5-3-4-6-21(20)32-24(22)27-15-16-7-11-18(26)12-8-16/h7-15H,2-6H2,1H3,(H,28,29)/b27-15+

Composition: C (66.65%), H (5.15%), F (4.22%), N (6.22%), O (10.65%), S (7.12%)

Molar Mass: 450.53

Atom Count: 55

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	450.141341946
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LETHXIPEWCBXHA-JFLMPSFJSA-N
Lipinski's Rule of Five
Molar Refractivity	127.6
Topological Polar Surface Area	67.76
Polarizability	46.17
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H23FN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00