Name: Name:(3-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-4-Methoxyphenyl)boronic acid
Brand: Angene
SKU: AG00AR7V
Rating: 90 (10 reviews)

(3-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-4-Methoxyphenyl)boronic acid

CAS No.:

1704081-10-6

Catalog Number:

AG00AR7V

Molecular Formula:

C16H25BN2O7S

Molecular Weight:

400.2549

Catalog Number:

AG00AR7V

Chemical Name:

(3-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-4-Methoxyphenyl)boronic acid

CAS Number:

1704081-10-6

Molecular Formula:

C16H25BN2O7S

Molecular Weight:

400.2549

MDL Number:

MFCD28805555

IUPAC Name:

[4-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylphenyl]boronic acid

InChI:

InChI=1S/C16H25BN2O7S/c1-16(2,3)26-15(20)18-7-9-19(10-8-18)27(23,24)14-11-12(17(21)22)5-6-13(14)25-4/h5-6,11,21-22H,7-10H2,1-4H3

InChI Key:

SKELWGXKWWICSI-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C)B(O)O

Complexity:

609

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

400.148g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

400.253g/mol

Monoisotopic Mass:

400.148g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

125A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: