200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1353966-29-6
1353966-29-6 | 4-(3-Bromo-benzenesulfonyl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
CAS No: 1353966-29-6 Catalog No: AG01F3O1 MDL No:
Product Description
Catalog Number:
AG01F3O1
Chemical Name:
4-(3-Bromo-benzenesulfonyl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
CAS Number:
1353966-29-6
Molecular Formula:
C16H23BrN2O4S
Molecular Weight:
419.3338
IUPAC Name:
tert-butyl 4-(3-bromophenyl)sulfonyl-2-methylpiperazine-1-carboxylate
InChI:
InChI=1S/C16H23BrN2O4S/c1-12-11-18(8-9-19(12)15(20)23-16(2,3)4)24(21,22)14-7-5-6-13(17)10-14/h5-7,10,12H,8-9,11H2,1-4H3
InChI Key:
GIPVKJGQWJCVQB-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)S(=O)(=O)N1CCN(C(C1)C)C(=O)OC(C)(C)C
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.056g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.334g/mol
Monoisotopic Mass:
418.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.