1,3-dimethyl 5-(3-chloro-1-benzothiophene-2-amido)benzene-1,3-dicarboxylate

1,3-dimethyl 5-(3-chloro-1-benzothiophene-2-amido)benzene-1,3-dicarboxylate

Formula: C19H14ClNO5S

SMILES: COC(=O)C1=CC(=CC(NC(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1)C(=O)OC

IUPAC: 1,3-dimethyl 5-(3-chloro-1-benzothiophene-2-amido)benzene-1,3-dicarboxylate

InChI: InChI=1S/C19H14ClNO5S/c1-25-18(23)10-7-11(19(24)26-2)9-12(8-10)21-17(22)16-15(20)13-5-3-4-6-14(13)27-16/h3-9H,1-2H3,(H,21,22)

Composition: C (56.51%), H (3.49%), Cl (8.78%), N (3.47%), O (19.81%), S (7.94%)

Molar Mass: 403.83

Atom Count: 41

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	403.0281214
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FPWSZRJXMODXFV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.57
Topological Polar Surface Area	81.7
Polarizability	39.92
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H14ClNO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00