ethyl 2-(3,4-dichlorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-(3,4-dichlorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C19H19Cl2NO3S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=C(Cl)C(Cl)=C2)SC2=C1CCC(C)C2

IUPAC: ethyl 2-(3,4-dichlorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1/C19H19Cl2NO3S/c1-3-25-19(24)16-12-6-4-10(2)8-15(12)26-18(16)22-17(23)11-5-7-13(20)14(21)9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,22,23)

Composition: C (55.35%), H (4.64%), Cl (17.20%), N (3.40%), O (11.64%), S (7.78%)

Molar Mass: 412.33

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	411.04627
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HPUKJCMCNNUFJX-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	106.21
Topological Polar Surface Area	55.4
Polarizability	40.05
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19Cl2NO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00