200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 874298-05-2
874298-05-2 | N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)thiomorpholine-4-carboxamide
CAS No: 874298-05-2 Catalog No: AG01DTQL MDL No:
Product Description
Catalog Number:
AG01DTQL
Chemical Name:
N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)thiomorpholine-4-carboxamide
CAS Number:
874298-05-2
Molecular Formula:
C17H25BN2O3S
Molecular Weight:
348.2680
IUPAC Name:
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thiomorpholine-4-carboxamide
InChI:
InChI=1S/C17H25BN2O3S/c1-16(2)17(3,4)23-18(22-16)13-5-7-14(8-6-13)19-15(21)20-9-11-24-12-10-20/h5-8H,9-12H2,1-4H3,(H,19,21)
InChI Key:
KZZKYDSDBGUMHC-UHFFFAOYSA-N
SMILES:
O=C(N1CCSCC1)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.268g/mol
Monoisotopic Mass:
348.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.