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Home > Imidazoles > 606114-49-2
606114-49-2 | Benzoic acid, 4-[[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl]-, ethyl ester (9CI)
CAS No: 606114-49-2 Catalog No: AG00EOIO MDL No:
Product Description
Catalog Number:
AG00EOIO
Chemical Name:
Benzoic acid, 4-[[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl]-, ethyl ester (9CI)
CAS Number:
606114-49-2
IUPAC Name:
ethyl 4-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]sulfonylbenzoate
InChI:
InChI=1S/C22H25N3O4S/c1-2-29-22(26)17-10-12-18(13-11-17)30(27,28)25-20-9-5-4-8-19(20)23-21(25)16-24-14-6-3-7-15-24/h4-5,8-13H,2-3,6-7,14-16H2,1H3
InChI Key:
KURDVQDHYKTQIA-UHFFFAOYSA-N
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.157g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.519g/mol
Monoisotopic Mass:
427.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.9A^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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