Name: Name:(5-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-2-Methoxyphenyl)boronic acid
Brand: Angene
SKU: AG00AREX
Rating: 90 (10 reviews)

(5-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-2-Methoxyphenyl)boronic acid

CAS No.:

1704095-62-4

Catalog Number:

AG00AREX

Molecular Formula:

C16H25BN2O7S

Molecular Weight:

400.2549

Catalog Number:

AG00AREX

Chemical Name:

(5-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-2-Methoxyphenyl)boronic acid

CAS Number:

1704095-62-4

Molecular Formula:

C16H25BN2O7S

Molecular Weight:

400.2549

MDL Number:

MFCD28805773

IUPAC Name:

[2-methoxy-5-[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)12-5-6-14(25-4)13(11-12)17(21)22/h5-6,11,21-22H,7-10H2,1-4H3

InChI Key:

NWTPQIPMKBUCLO-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1B(O)O)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C

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: