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Home > Boronic Acids > 913388-57-5
913388-57-5 | 2-BORONO-5-[(4-METHYL-(PIPERAZIN-1-YL))CARBONYL]-1H-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS No: 913388-57-5 Catalog No: AG006CGD MDL No:
Product Description
Catalog Number:
AG006CGD
Chemical Name:
2-BORONO-5-[(4-METHYL-(PIPERAZIN-1-YL))CARBONYL]-1H-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS Number:
913388-57-5
Molecular Formula:
C19H26BN3O5
Molecular Weight:
387.2378
IUPAC Name:
[5-(4-methylpiperazine-1-carbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C19H26BN3O5/c1-19(2,3)28-18(25)23-15-6-5-13(11-14(15)12-16(23)20(26)27)17(24)22-9-7-21(4)8-10-22/h5-6,11-12,26-27H,7-10H2,1-4H3
InChI Key:
LBGDJMZIAMJAMK-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1ccc2c(c1)cc(n2C(=O)OC(C)(C)C)B(O)O
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.197g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.243g/mol
Monoisotopic Mass:
387.197g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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