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Home > Boronic Acids > 519148-74-4
519148-74-4 | 1H-Indole-1-carboxylic acid, 2-borono-5-[(4-methyl-1-piperazinyl)sulfonyl]-, 1-(1,1-dimethylethyl) ester
CAS No: 519148-74-4 Catalog No: AG00DXFT MDL No:
Product Description
Catalog Number:
AG00DXFT
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-5-[(4-methyl-1-piperazinyl)sulfonyl]-, 1-(1,1-dimethylethyl) ester
CAS Number:
519148-74-4
IUPAC Name:
[5-(4-methylpiperazin-1-yl)sulfonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C18H26BN3O6S/c1-18(2,3)28-17(23)22-15-6-5-14(11-13(15)12-16(22)19(24)25)29(26,27)21-9-7-20(4)8-10-21/h5-6,11-12,24-25H,7-10H2,1-4H3
InChI Key:
NSTXUORBJMZTCP-UHFFFAOYSA-N
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.164g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
423.291g/mol
Monoisotopic Mass:
423.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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