methyl 2-[6-tert-butyl-2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-amido]benzoate

methyl 2-[6-tert-butyl-2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-amido]benzoate

Formula: C28H29FN2O4S

SMILES: COC(=O)C1=CC=CC=C1NC(=O)C1=C(NC(=O)C2=CC=CC=C2F)SC2=C1CCC(C2)C(C)(C)C

IUPAC: methyl 2-[6-tert-butyl-2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-amido]benzoate

InChI: InChI=1/C28H29FN2O4S/c1-28(2,3)16-13-14-19-22(15-16)36-26(31-24(32)17-9-5-7-11-20(17)29)23(19)25(33)30-21-12-8-6-10-18(21)27(34)35-4/h5-12,16H,13-15H2,1-4H3,(H,30,33)(H,31,32)

Composition: C (66.12%), H (5.75%), F (3.74%), N (5.51%), O (12.58%), S (6.30%)

Molar Mass: 508.61

Atom Count: 65

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	508.183206759
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ODUIDFQQVKCSKT-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	141.23
Topological Polar Surface Area	84.5
Polarizability	52.18
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H29FN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00