Name: Name:3-(4-(tert-Butoxycarbonyl)piperazin-1-ylsulfonyl)-4-methylphenylboronic acid
Brand: Angene
SKU: AG00ARLJ
Rating: 90 (10 reviews)

3-(4-(tert-Butoxycarbonyl)piperazin-1-ylsulfonyl)-4-methylphenylboronic acid

CAS No.:

1704066-78-3

Catalog Number:

AG00ARLJ

Molecular Formula:

C16H25BN2O6S

Molecular Weight:

384.2555

Catalog Number:

AG00ARLJ

Chemical Name:

3-(4-(tert-Butoxycarbonyl)piperazin-1-ylsulfonyl)-4-methylphenylboronic acid

CAS Number:

1704066-78-3

Molecular Formula:

C16H25BN2O6S

Molecular Weight:

384.2555

MDL Number:

MFCD28384273

IUPAC Name:

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

InChI:

InChI=1S/C16H25BN2O6S/c1-12-5-6-13(17(21)22)11-14(12)26(23,24)19-9-7-18(8-10-19)15(20)25-16(2,3)4/h5-6,11,21-22H,7-10H2,1-4H3

InChI Key:

PMWSSCJJHFBRRM-UHFFFAOYSA-N

SMILES:

OB(c1ccc(c(c1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C)O

Complexity:

593

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

384.153g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

384.254g/mol

Monoisotopic Mass:

384.153g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: