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Home > Boronic Acids > 864759-44-4
864759-44-4 | Benzamide,N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 864759-44-4 Catalog No: AG004QPC MDL No:
Product Description
Catalog Number:
AG004QPC
Chemical Name:
Benzamide,N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
864759-44-4
Molecular Formula:
C22H26BN3O3
Molecular Weight:
391.2711
IUPAC Name:
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C22H26BN3O3/c1-21(2)22(3,4)29-23(28-21)19-10-8-18(9-11-19)20(27)26(14-6-12-24)16-17-7-5-13-25-15-17/h5,7-11,13,15H,6,14,16H2,1-4H3
InChI Key:
YJYYCWQVNQVASK-UHFFFAOYSA-N
SMILES:
N#CCCN(C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)Cc1cccnc1
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.207g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.278g/mol
Monoisotopic Mass:
391.207g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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