Name: Name:ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate
Brand: Angene
SKU: AG01CLVD
Rating: 90 (10 reviews)

ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate

CAS No.:

680212-25-3

Catalog Number:

AG01CLVD

Molecular Formula:

C21H15ClF3N3O5S

Molecular Weight:

513.8741

Catalog Number:

AG01CLVD

Chemical Name:

ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate

CAS Number:

680212-25-3

Molecular Formula:

C21H15ClF3N3O5S

Molecular Weight:

513.8741

MDL Number:

MFCD00206829

IUPAC Name:

ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate

InChI:

InChI=1S/C21H15ClF3N3O5S/c1-2-33-20(30)15-16(26)18(17(29)10-7-8-12(22)14(9-10)28(31)32)34-19(15)27-13-6-4-3-5-11(13)21(23,24)25/h3-9,27H,2,26H2,1H3

InChI Key:

UGKAUCAWOPUFHC-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(sc(c1N)C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)Nc1ccccc1C(F)(F)F

Complexity:

771

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

513.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

513.872g/mol

Monoisotopic Mass:

513.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

156A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.1