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173951-84-3 | 1-Piperazinecarboxylic acid, 4-[(4-aminophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS No: 173951-84-3 Catalog No: AG001ZAU MDL No:MFCD09028523
Product Description
Catalog Number:
AG001ZAU
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(4-aminophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
173951-84-3
Molecular Formula:
C15H23N3O4S
Molecular Weight:
341.4258
MDL Number:
MFCD09028523
IUPAC Name:
tert-butyl 4-(4-aminophenyl)sulfonylpiperazine-1-carboxylate
InChI:
InChI=1S/C15H23N3O4S/c1-15(2,3)22-14(19)17-8-10-18(11-9-17)23(20,21)13-6-4-12(16)5-7-13/h4-7H,8-11,16H2,1-3H3
InChI Key:
DHRKPOXBSFDUFA-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)N)OC(C)(C)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.141g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.426g/mol
Monoisotopic Mass:
341.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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