ethyl 6-[(E)-(benzylimino)methyl]-7-chloro-2-acetamido-1-benzothiophene-3-carboxylate

ethyl 6-[(E)-(benzylimino)methyl]-7-chloro-2-acetamido-1-benzothiophene-3-carboxylate

Formula: C21H19ClN2O3S

SMILES: CCOC(=O)C1=C(NC(C)=O)SC2=C(Cl)C(C=NCC3=CC=CC=C3)=CC=C12

IUPAC: ethyl 6-[(E)-(benzylimino)methyl]-7-chloro-2-acetamido-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C21H19ClN2O3S/c1-3-27-21(26)17-16-10-9-15(12-23-11-14-7-5-4-6-8-14)18(22)19(16)28-20(17)24-13(2)25/h4-10,12H,3,11H2,1-2H3,(H,24,25)/b23-12+

Composition: C (60.79%), H (4.62%), Cl (8.54%), N (6.75%), O (11.57%), S (7.73%)

Molar Mass: 414.9

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	414.0804914
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DWAAWYLHENWLFL-FSJBWODESA-N
Lipinski's Rule of Five
Molar Refractivity	113.15
Topological Polar Surface Area	67.76
Polarizability	43.56
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H19ClN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00