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

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

Formula: C20H23ClN2O3S

SMILES: CCOC(=O)C1=C(NC(C)=O)SC2=C(Cl)C(C=NC3CCCCC3)=CC=C12

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

InChI: InChI=1S/C20H23ClN2O3S/c1-3-26-20(25)16-15-10-9-13(11-22-14-7-5-4-6-8-14)17(21)18(15)27-19(16)23-12(2)24/h9-11,14H,3-8H2,1-2H3,(H,23,24)/b22-11+

Composition: C (59.03%), H (5.70%), Cl (8.71%), N (6.88%), O (11.80%), S (7.88%)

Molar Mass: 406.93

Atom Count: 50

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	406.1117915
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XHXJKACJXNLKIT-SSDVNMTOSA-N
Lipinski's Rule of Five
Molar Refractivity	109.55
Topological Polar Surface Area	67.76
Polarizability	42.46
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H23ClN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00