Name: Name:4-{4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}-4-oxobutanoic acid
Brand: Angene
SKU: AG01A0OJ
Rating: 90 (10 reviews)

4-{4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}-4-oxobutanoic acid

CAS No.:

888111-57-7

Catalog Number:

AG01A0OJ

Molecular Formula:

C12H15BrN2O5S2

Molecular Weight:

411.2919

Catalog Number:

AG01A0OJ

Chemical Name:

4-{4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}-4-oxobutanoic acid

CAS Number:

888111-57-7

Molecular Formula:

C12H15BrN2O5S2

Molecular Weight:

411.2919

MDL Number:

MFCD06024395

IUPAC Name:

4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid

InChI:

InChI=1S/C12H15BrN2O5S2/c13-9-1-4-12(21-9)22(19,20)15-7-5-14(6-8-15)10(16)2-3-11(17)18/h1,4H,2-3,5-8H2,(H,17,18)

InChI Key:

MKOLGZVKBDUNAN-UHFFFAOYSA-N

SMILES:

OC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(s1)Br

Complexity:

528

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

409.961g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

411.285g/mol

Monoisotopic Mass:

409.961g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

132A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8