ethyl 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C28H24ClFN2O4S

SMILES: CCOC(=O)C1=C(NC(=O)C2=C(C)ON=C2C2=C(F)C=CC=C2Cl)SC2=C1CCC(C2)C1=CC=CC=C1

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

InChI: InChI=1/C28H24ClFN2O4S/c1-3-35-28(34)23-18-13-12-17(16-8-5-4-6-9-16)14-21(18)37-27(23)31-26(33)22-15(2)36-32-25(22)24-19(29)10-7-11-20(24)30/h4-11,17H,3,12-14H2,1-2H3,(H,31,33)

Composition: C (62.39%), H (4.49%), Cl (6.58%), F (3.52%), N (5.20%), O (11.87%), S (5.95%)

Molar Mass: 539.02

Atom Count: 61

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	538.1129343
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WBIQGAUCJFRJGE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	143.07
Topological Polar Surface Area	81.43
Polarizability	54.17
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H24ClFN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00