Name: Name:Methyl 3-(2,6-Difluorobenzamido)-5-(4-Ethoxyphenyl)Thiophene-2-Carboxylate
Brand: Angene
SKU: AG01DGCT
Rating: 90 (10 reviews)

Methyl 3-(2,6-Difluorobenzamido)-5-(4-Ethoxyphenyl)Thiophene-2-Carboxylate

CAS No.:

890817-95-5

Catalog Number:

AG01DGCT

Molecular Formula:

C21H17F2NO4S

Molecular Weight:

417.4258

Catalog Number:

AG01DGCT

Chemical Name:

Methyl 3-(2,6-Difluorobenzamido)-5-(4-Ethoxyphenyl)Thiophene-2-Carboxylate

CAS Number:

890817-95-5

Molecular Formula:

C21H17F2NO4S

Molecular Weight:

417.4258

MDL Number:

MFCD14807590

IUPAC Name:

methyl 3-[(2,6-difluorobenzoyl)amino]-5-(4-ethoxyphenyl)thiophene-2-carboxylate

InChI:

InChI=1S/C21H17F2NO4S/c1-3-28-13-9-7-12(8-10-13)17-11-16(19(29-17)21(26)27-2)24-20(25)18-14(22)5-4-6-15(18)23/h4-11H,3H2,1-2H3,(H,24,25)

InChI Key:

WZWHILCGTTWEDP-UHFFFAOYSA-N

SMILES:

CCOc1ccc(cc1)c1cc(c(s1)C(=O)OC)NC(=O)c1c(F)cccc1F

Complexity:

563

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

417.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

417.427g/mol

Monoisotopic Mass:

417.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4