ethyl 2-(4-chloro-3-nitrobenzamido)-5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

ethyl 2-(4-chloro-3-nitrobenzamido)-5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

Formula: C23H16Cl2F3N3O6S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=C(Cl)C(=C2)[N+]([O-])=O)SC(C(=O)NC2=CC(=CC=C2Cl)C(F)(F)F)=C1C

IUPAC: ethyl 2-(4-chloro-3-nitrobenzamido)-5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

InChI: InChI=1S/C23H16Cl2F3N3O6S/c1-3-37-22(34)17-10(2)18(20(33)29-15-9-12(23(26,27)28)5-7-13(15)24)38-21(17)30-19(32)11-4-6-14(25)16(8-11)31(35)36/h4-9H,3H2,1-2H3,(H,29,33)(H,30,32)

Composition: C (46.79%), H (2.73%), Cl (12.01%), F (9.65%), N (7.12%), O (16.26%), S (5.43%)

Molar Mass: 590.35

Atom Count: 54

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	589.0088963
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	JWIJPKGDQGUNPG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	136.89
Topological Polar Surface Area	127.64
Polarizability	49.48
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H16Cl2F3N3O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00