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Home > Pyridines > 690642-28-5
690642-28-5 | 1-(4-tert-butylbenzenesulfonyl)-4-(pyridin-2-yl)piperazine
CAS No: 690642-28-5 Catalog No: AG00IXCN MDL No:MFCD01567492
Product Description
Catalog Number:
AG00IXCN
Chemical Name:
1-(4-tert-butylbenzenesulfonyl)-4-(pyridin-2-yl)piperazine
CAS Number:
690642-28-5
Molecular Formula:
C19H25N3O2S
Molecular Weight:
359.4857
MDL Number:
MFCD01567492
IUPAC Name:
1-(4-tert-butylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
InChI:
InChI=1S/C19H25N3O2S/c1-19(2,3)16-7-9-17(10-8-16)25(23,24)22-14-12-21(13-15-22)18-6-4-5-11-20-18/h4-11H,12-15H2,1-3H3
InChI Key:
IHWAPDHBWDLRCN-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)C(C)(C)C)N1CCN(CC1)c1ccccn1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.167g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.488g/mol
Monoisotopic Mass:
359.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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