Name: Name:4-((4-ethylpiperazin-1-yl)sulfonyl)-3,5-diMethylphenyl)boronic acid
Brand: Angene
SKU: AG00ARMY
Rating: 90 (10 reviews)

4-((4-ethylpiperazin-1-yl)sulfonyl)-3,5-diMethylphenyl)boronic acid

CAS No.:

1704067-32-2

Catalog Number:

AG00ARMY

Molecular Formula:

C14H23BN2O4S

Molecular Weight:

326.2194

Catalog Number:

AG00ARMY

Chemical Name:

4-((4-ethylpiperazin-1-yl)sulfonyl)-3,5-diMethylphenyl)boronic acid

CAS Number:

1704067-32-2

Molecular Formula:

C14H23BN2O4S

Molecular Weight:

326.2194

MDL Number:

MFCD28384286

IUPAC Name:

[4-(4-ethylpiperazin-1-yl)sulfonyl-3,5-dimethylphenyl]boronic acid

InChI:

InChI=1S/C14H23BN2O4S/c1-4-16-5-7-17(8-6-16)22(20,21)14-11(2)9-13(15(18)19)10-12(14)3/h9-10,18-19H,4-8H2,1-3H3

InChI Key:

SSHDEQRNHQSAAK-UHFFFAOYSA-N

SMILES:

CCN1CCN(CC1)S(=O)(=O)c1c(C)cc(cc1C)B(O)O

Complexity:

448

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

326.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.218g/mol

Monoisotopic Mass:

326.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: