methyl 2-(2-chloro-6-fluorobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-(2-chloro-6-fluorobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C23H19ClFNO3S

SMILES: COC(=O)C1=C(NC(=O)C2=C(F)C=CC=C2Cl)SC2=C1CCC(C2)C1=CC=CC=C1

IUPAC: methyl 2-(2-chloro-6-fluorobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1/C23H19ClFNO3S/c1-29-23(28)19-15-11-10-14(13-6-3-2-4-7-13)12-18(15)30-22(19)26-21(27)20-16(24)8-5-9-17(20)25/h2-9,14H,10-12H2,1H3,(H,26,27)

Composition: C (62.23%), H (4.31%), Cl (7.99%), F (4.28%), N (3.16%), O (10.81%), S (7.22%)

Molar Mass: 443.92

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	443.0758205
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VVQQFMBPQUONEV-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	116.97
Topological Polar Surface Area	55.4
Polarizability	43.64
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H19ClFNO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00