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203521-17-9 | Piperazine, 1-[(6-chloro-2-naphthalenyl)sulfonyl]-
CAS No: 203521-17-9 Catalog No: AG0028YP MDL No:
Product Description
Catalog Number:
AG0028YP
Chemical Name:
Piperazine, 1-[(6-chloro-2-naphthalenyl)sulfonyl]-
CAS Number:
203521-17-9
Molecular Formula:
C14H15ClN2O2S
Molecular Weight:
310.7991
IUPAC Name:
1-(6-chloronaphthalen-2-yl)sulfonylpiperazine
InChI:
InChI=1S/C14H15ClN2O2S/c15-13-3-1-12-10-14(4-2-11(12)9-13)20(18,19)17-7-5-16-6-8-17/h1-4,9-10,16H,5-8H2
InChI Key:
FMLPGZYYCBFFLU-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)ccc(c2)S(=O)(=O)N1CCNCC1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.796g/mol
Monoisotopic Mass:
310.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element. | Journal of medicinal chemistry 20041007 |
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