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Home > Bromides > 1261234-56-3
1261234-56-3 | 4-(5-Bromo-thiophene-2-sulfonyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester
CAS No: 1261234-56-3 Catalog No: AG01F39T MDL No:
Product Description
Catalog Number:
AG01F39T
Chemical Name:
4-(5-Bromo-thiophene-2-sulfonyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester
CAS Number:
1261234-56-3
Molecular Formula:
C14H21BrN2O4S2
Molecular Weight:
425.3615
IUPAC Name:
tert-butyl 4-(5-bromothiophen-2-yl)sulfonyl-3-methylpiperazine-1-carboxylate
InChI:
InChI=1S/C14H21BrN2O4S2/c1-10-9-16(13(18)21-14(2,3)4)7-8-17(10)23(19,20)12-6-5-11(15)22-12/h5-6,10H,7-9H2,1-4H3
InChI Key:
ZMLHLHITMAXYAL-UHFFFAOYSA-N
SMILES:
CC1CN(CCN1S(=O)(=O)c1ccc(s1)Br)C(=O)OC(C)(C)C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.013g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.356g/mol
Monoisotopic Mass:
424.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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