ethyl 5-acetyl-2-(3-chloro-6-methyl-1-benzothiophene-2-amido)-4-methylthiophene-3-carboxylate

ethyl 5-acetyl-2-(3-chloro-6-methyl-1-benzothiophene-2-amido)-4-methylthiophene-3-carboxylate

Formula: C20H18ClNO4S2

SMILES: CCOC(=O)C1=C(NC(=O)C2=C(Cl)C3=CC=C(C)C=C3S2)SC(C(C)=O)=C1C

IUPAC: ethyl 5-acetyl-2-(3-chloro-6-methyl-1-benzothiophene-2-amido)-4-methylthiophene-3-carboxylate

InChI: InChI=1S/C20H18ClNO4S2/c1-5-26-20(25)14-10(3)16(11(4)23)28-19(14)22-18(24)17-15(21)12-7-6-9(2)8-13(12)27-17/h6-8H,5H2,1-4H3,(H,22,24)

Composition: C (55.10%), H (4.16%), Cl (8.13%), N (3.21%), O (14.68%), S (14.71%)

Molar Mass: 435.94

Atom Count: 46

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	435.0365781
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QTUOIDWHDOSUTK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	112.83
Topological Polar Surface Area	72.47
Polarizability	43.3
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18ClNO4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00