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Home > Other Heterocycles > 325830-48-6
325830-48-6 | 4-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)benzoic acid
CAS No: 325830-48-6 Catalog No: AG019GJP MDL No:
Product Description
Catalog Number:
AG019GJP
Chemical Name:
4-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)benzoic acid
CAS Number:
325830-48-6
Molecular Formula:
C17H23NO4S
Molecular Weight:
337.4338
IUPAC Name:
4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoic acid
InChI:
InChI=1S/C17H23NO4S/c1-16(2)8-13-9-17(3,10-16)11-18(13)23(21,22)14-6-4-12(5-7-14)15(19)20/h4-7,13H,8-11H2,1-3H3,(H,19,20)
InChI Key:
HTLNNHARPMAHKG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)N1CC2(CC1CC(C2)(C)C)C
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.434g/mol
Monoisotopic Mass:
337.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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