methyl 2-[2-(3,4-dichlorophenyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

methyl 2-[2-(3,4-dichlorophenyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

Formula: C19H19Cl2NO3S

SMILES: COC(=O)C1=C(NC(=O)CC2=CC=C(Cl)C(Cl)=C2)SC2=C1CCCCC2

IUPAC: methyl 2-[2-(3,4-dichlorophenyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

InChI: InChI=1S/C19H19Cl2NO3S/c1-25-19(24)17-12-5-3-2-4-6-15(12)26-18(17)22-16(23)10-11-7-8-13(20)14(21)9-11/h7-9H,2-6,10H2,1H3,(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	0
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	JSSLVOXYNHDWAB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	105.56
Topological Polar Surface Area	55.4
Polarizability	40.07
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