methyl 2-[2-(2,4-dichlorophenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-[2-(2,4-dichlorophenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C19H19Cl2NO4S

SMILES: COC(=O)C1=C(NC(=O)C(C)OC2=CC=C(Cl)C=C2Cl)SC2=C1CCCC2

IUPAC: methyl 2-[2-(2,4-dichlorophenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1/C19H19Cl2NO4S/c1-10(26-14-8-7-11(20)9-13(14)21)17(23)22-18-16(19(24)25-2)12-5-3-4-6-15(12)27-18/h7-10H,3-6H2,1-2H3,(H,22,23)

Composition: C (53.28%), H (4.47%), Cl (16.55%), N (3.27%), O (14.94%), S (7.48%)

Molar Mass: 428.32

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	427.0411847
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SBWVMCVMQLPONZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	106.7
Topological Polar Surface Area	64.63
Polarizability	40.78
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19Cl2NO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00