Name: Name:3-Benzofurancarboxylic acid, 6-[bis(Methylsulfonyl)aMino]-5-cyclopropyl-2-(4-fluorophenyl)-, ethyl ester
Brand: Angene
SKU: AG008TCB
Rating: 90 (10 reviews)

3-Benzofurancarboxylic acid, 6-[bis(Methylsulfonyl)aMino]-5-cyclopropyl-2-(4-fluorophenyl)-, ethyl ester

CAS No.:

1185313-40-9

Catalog Number:

AG008TCB

Molecular Formula:

C22H22FNO7S2

Molecular Weight:

495.5410

Catalog Number:

AG008TCB

Chemical Name:

3-Benzofurancarboxylic acid, 6-[bis(Methylsulfonyl)aMino]-5-cyclopropyl-2-(4-fluorophenyl)-, ethyl ester

CAS Number:

1185313-40-9

Molecular Formula:

C22H22FNO7S2

Molecular Weight:

495.5410

MDL Number:

MFCD12761256

IUPAC Name:

ethyl 6-[bis(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate

InChI:

InChI=1S/C22H22FNO7S2/c1-4-30-22(25)20-17-11-16(13-5-6-13)18(24(32(2,26)27)33(3,28)29)12-19(17)31-21(20)14-7-9-15(23)10-8-14/h7-13H,4-6H2,1-3H3

InChI Key:

KFEQGOYOANATEY-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(oc2c1cc(C1CC1)c(c2)N(S(=O)(=O)C)S(=O)(=O)C)c1ccc(cc1)F

Complexity:

901

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

495.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

495.536g/mol

Monoisotopic Mass:

495.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

128A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9