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1245644-35-2 | Benzoic acid, 2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-
CAS No: 1245644-35-2 Catalog No: AG000M8T MDL No:
Product Description
Catalog Number:
AG000M8T
Chemical Name:
Benzoic acid, 2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-
CAS Number:
1245644-35-2
Molecular Formula:
C15H22N2O5S
Molecular Weight:
342.4106
IUPAC Name:
2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzoic acid
InChI:
InChI=1S/C15H22N2O5S/c1-3-16-7-9-17(10-8-16)23(20,21)12-5-6-14(22-4-2)13(11-12)15(18)19/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)
InChI Key:
UEQCATIDIDTXNZ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C(=O)O)S(=O)(=O)N1CCN(CC1)CC
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.125g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.41g/mol
Monoisotopic Mass:
342.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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