200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 913388-55-3
913388-55-3 | 2-BORONO-5-[[4-[(1,1-DIMETHYLETHOXY)CARBONYL]-(PIPERAZIN-1-YL)]CARBONYL]-1H-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS No: 913388-55-3 Catalog No: AG006NS0 MDL No:
Product Description
Catalog Number:
AG006NS0
Chemical Name:
2-BORONO-5-[[4-[(1,1-DIMETHYLETHOXY)CARBONYL]-(PIPERAZIN-1-YL)]CARBONYL]-1H-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS Number:
913388-55-3
Molecular Formula:
C23H32BN3O7
Molecular Weight:
473.3271
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C23H32BN3O7/c1-22(2,3)33-20(29)26-11-9-25(10-12-26)19(28)15-7-8-17-16(13-15)14-18(24(31)32)27(17)21(30)34-23(4,5)6/h7-8,13-14,31-32H,9-12H2,1-6H3
InChI Key:
LVGLYSZJALKNOQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)cc(n2C(=O)OC(C)(C)C)B(O)O)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.233g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
473.333g/mol
Monoisotopic Mass:
473.233g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.