ethyl 2-(4-chloro-3-nitrobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

ethyl 2-(4-chloro-3-nitrobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

Formula: C23H20ClN3O7S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=C(Cl)C(=C2)[N+]([O-])=O)SC(C(=O)NC2=CC=C(OC)C=C2)=C1C

IUPAC: ethyl 2-(4-chloro-3-nitrobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

InChI: InChI=1S/C23H20ClN3O7S/c1-4-34-23(30)18-12(2)19(21(29)25-14-6-8-15(33-3)9-7-14)35-22(18)26-20(28)13-5-10-16(24)17(11-13)27(31)32/h5-11H,4H2,1-3H3,(H,25,29)(H,26,28)

Composition: C (53.34%), H (3.89%), Cl (6.84%), N (8.11%), O (21.62%), S (6.19%)

Molar Mass: 517.94

Atom Count: 55

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	517.0710489
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ZSBIBPUUTPWVJC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	132.58
Topological Polar Surface Area	136.87
Polarizability	48.75
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H20ClN3O7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00